Hydrochloric Acid → HCID 178460205, compound
Reaction equation
[C:12](=[O:13])([OH:14])[O-:15].[Cl:18][CH2:19][C:20](=[O:21])[NH:22][c:23]1[s:24][cH:25][c:26]([C:28]([C:29](=[O:30])[Cl:31])=[N:32][O:33][C:34]([CH3:35])([C:36](=[O:37])[O:38][CH2:39][c:40]2[cH:41][cH:42][c:43]([N+:46](=[O:47])[O-:48])[cH:44][cH:45]2)[CH3:49])[n:27]1.[ClH:17].[NH2:1][CH:2]1[C:3](=[O:11])[NH:4][CH:5]1[CH2:6][NH:7][C:8](=[O:9])[NH2:10].[Na+:16].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[OH2:50]>>[NH:1]([CH:2]1[C:3](=[O:11])[NH:4][CH:5]1[CH2:6][NH:7][C:8](=[O:9])[NH2:10])[C:29]([C:28]([c:26]1[cH:25][s:24][c:23]([NH:22][C:20]([CH2:19][Cl:18])=[O:21])[n:27]1)=[N:32][O:33][C:34]([CH3:35])([C:36](=[O:37])[O:38][CH2:39][c:40]1[cH:41][cH:42][c:43]([N+:46](=[O:47])[O-:48])[cH:44][cH:45]1)[CH3:49])=[O:30]Participants
8
Sources & evidence
- ORD record
- ord-c2efc3ae106646a8b2c2501010a0ab5d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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