Hydrochloric Acid → 6-(3-benzylpiperazin-1-yl)-3-chloro-11H-benzo[b][1,4]benzodiazepine
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[CH2:9][NH:10][CH2:11][CH2:12][NH:13]1.[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[CH3:39][S:40]([CH3:41])=[O:42].[Cl:15][c:16]1[cH:17][cH:18][c:19]2[c:20]([cH:31]1)[N:21]=[C:22]([NH2:30])[c:23]1[c:24]([cH:26][cH:27][cH:28][cH:29]1)[NH:25]2.[ClH:14]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[CH2:9][N:10]([C:22]2=[N:21][c:20]3[c:19]([cH:18][cH:17][c:16]([Cl:15])[cH:31]3)[NH:25][c:24]3[c:23]2[cH:29][cH:28][cH:27][cH:26]3)[CH2:11][CH2:12][NH:13]1Participants
6
Sources & evidence
- ORD record
- ord-574a0ccb1798478e81b882256a034446
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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