Hydrochloric Acid → HCID 54101231, compound
Reaction equation
[CH3:45][N:46]([CH3:47])[CH2:48][CH2:49][CH2:50][N:51]=[C:52]=[N:53][CH2:54][CH3:55].[Cl:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([CH:12]=[CH:13][CH:14]=[C:15]([C:16](=[O:17])[OH:18])[O:19][CH3:20])[nH:7][c:8]2[cH:9][c:10]1[Cl:11].[ClH:44].[NH2:21][CH:22]1[CH2:23][C:24]([CH3:31])([CH3:32])[N:25]([CH3:30])[C:26]([CH3:28])([CH3:29])[CH2:27]1.[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH2:33].[OH:34][n:35]1[c:36]2[n:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[Cl:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([CH:12]=[CH:13][CH:14]=[C:15]([C:16](=[O:18])[NH:21][CH:22]3[CH2:23][C:24]([CH3:31])([CH3:32])[N:25]([CH3:30])[C:26]([CH3:28])([CH3:29])[CH2:27]3)[O:19][CH3:20])[nH:7][c:8]2[cH:9][c:10]1[Cl:11]Participants
8
Sources & evidence
- ORD record
- ord-afe3d9447b6843a4b82c4fc0c8a80e34
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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