Bad layout execution from reaction with salts, when exporting RXN V3000
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Description
**Steps to Reproduce**
1. Open ketcher (I use the online demo version 3.12)
2. Draw a reaction where a reactant contains a salt. See below for my example:
here is the RXN V3000 format corresponding to that reaction:
original RXN
```
$RXN V3000
-INDIGO- 0616261432
M V30 COUNTS 2 2
M V30 BEGIN REACTANT
M V30 BEGIN CTAB
M V30 COUNTS 9 9 0 0 0
M V30 BEGIN ATOM
M V30 1 O 12.1596 -7.96465 0.0 0
M V30 2 C 11.6596 -8.83067 0.0 0
M V30 3 C 10.6596 -8.83067 0.0 0
M V30 4 C 10.1596 -7.96465 0.0 0
M V30 5 C 9.15964 -7.96465 0.0 0
M V30 6 N 10.1596 -9.69673 0.0 0
M V30 7 C 9.15964 -9.69673 0.0 0
M V30 8 C 8.65964 -8.83067 0.0 0
M V30 9 O 12.1596 -9.69673 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 1 2
M V30 2 1 2 3
M V30 3 1 3 4
M V30 4 2 4 5
M V30 5 2 3 6
M V30 6 1 6 7
M V30 7 2 7 8
M V30 8 1 5 8
M V30 9 1 2 9
M V30 END BOND
M V30 END CTAB
M V30 BEGIN CTAB
M V30 COUNTS 10 9 0 0 0
M V30 BEGIN ATOM
M V30 1 Cl 18.5653 -9.22347 0.0 0
M V30 2 O 16.4719 -7.49583 0.0 0
M V30 3 C 16.4681 -8.49563 0.0 0
M V30 4 C 15.6003 -8.99263 0.0 0
M V30 5 C 15.5967 -9.99263 0.0 0
M V30 6 C 16.4609 -10.4956 0.0 0
M V30 7 N 14.7361 -8.48943 0.0 0
M V30 8 N 17.3325 -8.99883 0.0 0
M V30 9 C 17.3287 -9.99883 0.0 0
M V30 10 O 18.1931 -10.5018 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 2 3
M V30 2 1 3 4
M V30 3 1 4 5
M V30 4 1 5 6
M V30 5 1 4 7
M V30 6 1 3 8
M V30 7 1 8 9
M V30 8 1 6 9
M V30 9 2 9 10
M V30 END BOND
M V30 END CTAB
M V30 END REACTANT
M V30 BEGIN PRODUCT
M V30 BEGIN CTAB
M V30 COUNTS 17 18 0 0 0
M V30 BEGIN ATOM
M V30 1 O 24.5814 -11.8738 0.0 0
M V30 2 C 23.7154 -11.3738 0.0 0
M V30 3 C 23.7154 -10.3738 0.0 0
M V30 4 C 24.5814 -9.87383 0.0 0
M V30 5 C 24.5814 -8.87382 0.0 0
M V30 6 N 22.8494 -9.87383 0.0 0
M V30 7 C 22.8494 -8.87382 0.0 0
M V30 8 C 23.7154 -8.37382 0.0 0
M V30 9 O 24.5814 -12.8738 0.0 0
M V30 10 C 23.7154 -13.3738 0.0 0
M V30 11 C 22.8494 -12.8738 0.0 0
M V30 12 C 21.9833 -13.3738 0.0 0
M V30 13 C 21.9833 -14.3738 0.0 0
M V30 14 N 22.8494 -11.8738 0.0 0
M V30 15 N 23.7154 -14.3738 0.0 0
M V30 16 C 22.8494 -14.8738 0.0 0
M V30 17 O 22.8494 -15.8738 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 1 2
M V30 2 1 2 3
M V30 3 1 3 4
M V30 4 2 4 5
M V30 5 2 3 6
M V30 6 1 6 7
M V30 7 2 7 8
M V30 8 1 5 8
M V30 9 2 9 10
M V30 10 1 10 11
M V30 11 1 11 12
M V30 12 1 12 13
M V30 13 1 11 14
M V30 14 1 10 15
M V30 15 1 15 16
M V30 16 1 13 16
M V30 17 2 16 17
M V30 18 1 2 14
M V30 END BOND
M V30 END CTAB
M V30 BEGIN CTAB
M V30 COUNTS 18 18 0 0 0
M V30 BEGIN ATOM
M V30 1 O 31.7904 -7.07475 0.0 0
M V30 2 C 32.2904 -7.94077 0.0 0
M V30 3 N 31.7904 -8.8068 0.0 0
M V30 4 C 30.7904 -8.8068 0.0 0
M V30 5 C 30.2904 -9.67283 0.0 0
M V30 6 N 30.7904 -10.5389 0.0 0
M V30 7 O 29.2904 -9.67283 0.0 0
M V30 8 C 30.2904 -7.94077 0.0 0
M V30 9 C 29.2904 -7.94077 0.0 0
M V30 10 C 28.7904 -7.07475 0.0 0
M V30 11 O 29.2904 -6.20872 0.0 0
M V30 12 O 27.7904 -7.07475 0.0 0
M V30 13 C 33.2904 -7.94077 0.0 0
M V30 14 N 33.7904 -7.07475 0.0 0
M V30 15 C 34.7904 -7.07475 0.0 0
M V30 16 C 35.2904 -7.94077 0.0 0
M V30 17 C 34.7904 -8.8068 0.0 0
M V30 18 C 33.7904 -8.8068 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 1 2
M V30 2 1 2 3
M V30 3 1 3 4
M V30 4 1 4 5
M V30 5 1 5 6
M V30 6 2 5 7
M V30 7 1 4 8
M V30 8 1 8 9
M V30 9 1 9 10
M V30 10 1 10 11
M V30 11 2 10 12
M V30 12 1 2 13
M V30 13 2 13 14
M V30 14 1 14 15
M V30 15 2 15 16
M V30 16 1 16 17
M V30 17 2 17 18
M V30 18 1 13 18
M V30 END BOND
M V30 END CTAB
M V30 END PRODUCT
M END
```
3. Apply the layout to rearrange the scheme. Here we obtain this below, which seems correct:
BUT the RXN V3000 is missing the first reactant:
missing reactant
```
$RXN V3000
-INDIGO- 0616261432
M V30 COUNTS 1 2
M V30 BEGIN REACTANT
M V30 BEGIN CTAB
M V30 COUNTS 10 9 0 0 0
M V30 BEGIN ATOM
M V30 1 O 14.6775 -8.35221 0.0 0
M V30 2 C 15.1775 -9.21824 0.0 0
M V30 3 C 14.6775 -10.0843 0.0 0
M V30 4 C 15.1775 -10.9503 0.0 0
M V30 5 C 16.1775 -10.9503 0.0 0
M V30 6 N 13.6775 -10.0843 0.0 0
M V30 7 N 16.1775 -9.21824 0.0 0
M V30 8 C 16.6775 -10.0843 0.0 0
M V30 9 O 17.6775 -10.0843 0.0 0
M V30 10 Cl 12.6775 -10.4503 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 1 2
M V30 2 1 2 3
M V30 3 1 3 4
M V30 4 1 4 5
M V30 5 1 3 6
M V30 6 1 2 7
M V30 7 1 7 8
M V30 8 1 5 8
M V30 9 2 8 9
M V30 END BOND
M V30 END CTAB
M V30 END REACTANT
M V30 BEGIN PRODUCT
M V30 BEGIN CTAB
M V30 COUNTS 17 18 0 0 0
M V30 BEGIN ATOM
M V30 1 O 23.2913 -8.35221 0.0 0
M V30 2 C 22.7913 -9.21824 0.0 0
M V30 3 C 21.7913 -9.21824 0.0 0
M V30 4 C 21.2913 -8.35221 0.0 0
M V30 5 C 20.2913 -8.35221 0.0 0
M V30 6 N 21.2913 -10.0843 0.0 0
M V30 7 C 20.2913 -10.0843 0.0 0
M V30 8 C 19.7913 -9.21824 0.0 0
M V30 9 O 24.2913 -8.35221 0.0 0
M V30 10 C 24.7913 -9.21824 0.0 0
M V30 11 C 24.2913 -10.0843 0.0 0
M V30 12 C 24.7913 -10.9503 0.0 0
M V30 13 C 25.7913 -10.9503 0.0 0
M V30 14 N 23.2913 -10.0843 0.0 0
M V30 15 N 25.7913 -9.21824 0.0 0
M V30 16 C 26.2913 -10.0843 0.0 0
M V30 17 O 27.2913 -10.0843 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 1 2
M V30 2 1 2 3
M V30 3 1 3 4
M V30 4 2 4 5
M V30 5 2 3 6
M V30 6 1 6 7
M V30 7 2 7 8
M V30 8 1 5 8
M V30 9 2 9 10
M V30 10 1 10 11
M V30 11 1 11 12
M V30 12 1 12 13
M V30 13 1 11 14
M V30 14 1 10 15
M V30 15 1 15 16
M V30 16 1 13 16
M V30 17 2 16 17
M V30 18 1 2 14
M V30 END BOND
M V30 END CTAB
M V30 BEGIN CTAB
M V30 COUNTS 18 18 0 0 0
M V30 BEGIN ATOM
M V30 1 O 33.0187 -10.8365 0.0 0
M V30 2 C 33.5187 -9.97051 0.0 0
M V30 3 N 33.0187 -9.10449 0.0 0
M V30 4 C 32.0187 -9.10449 0.0 0
M V30 5 C 31.5188 -8.23846 0.0 0
M V30 6 N 32.0187 -7.37244 0.0 0
M V30 7 O 30.5188 -8.23846 0.0 0
M V30 8 C 31.5188 -9.97051 0.0 0
M V30 9 C 30.5188 -9.97051 0.0 0
M V30 10 C 30.0188 -10.8365 0.0 0
M V30 11 O 30.5188 -11.7026 0.0 0
M V30 12 O 29.0188 -10.8365 0.0 0
M V30 13 C 34.5187 -9.97051 0.0 0
M V30 14 N 35.0187 -9.10449 0.0 0
M V30 15 C 36.0187 -9.10449 0.0 0
M V30 16 C 36.5187 -9.97051 0.0 0
M V30 17 C 36.0187 -10.8365 0.0 0
M V30 18 C 35.0187 -10.8365 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 1 2
M V30 2 1 2 3
M V30 3 1 3 4
M V30 4 1 4 5
M V30 5 1 5 6
M V30 6 2 5 7
M V30 7 1 4 8
M V30 8 1 8 9
M V30 9 1 9 10
M V30 10 1 10 11
M V30 11 2 10 12
M V30 12 1 2 13
M V30 13 2 13 14
M V30 14 1 14 15
M V30 15 2 15 16
M V30 16 1 16 17
M V30 17 2 17 18
M V30 18 1 13 18
M V30 END BOND
M V30 END CTAB
M V30 END PRODUCT
M END
```
Which leads to that structure:
If I redo the same operation but I remove the salt (HCl) in the second reactant, I get the right RXN V3000 structure
**Desktop (please complete the following information):**
- OS: Ubuntu 24.04.4 LTS (but we observe the same in any OS, Windows or Mac
- Browser Chrome
- Version 143.0.7499.192
**Ketcher version**
3.12
Contributor guide
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Assessment
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