Hydrochloric Acid → 4-[3-(2-methoxyethyl)piperazin-1-yl]-2-propan-2-yl-10H-thieno[2,3-b][1,5]benzodiazepine
Reaction equation
[CH3:20][O:21][CH2:22][CH2:23][CH:24]1[NH:25][CH2:26][CH2:27][NH:28][CH2:29]1.[CH3:46][S:47]([CH3:48])=[O:49].[CH:2]([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]2[c:13]([s:14]1)[NH:12][c:11]1[c:10]([cH:18][cH:17][cH:16][cH:15]1)[N:9]=[C:8]2[NH2:19].[CH:30]([N:31]([CH:32]([CH3:33])[CH3:34])[CH2:35][CH3:36])([CH3:37])[CH3:38].[ClH:1].[c:39]1([CH3:40])[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[CH:2]([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]2[c:13]([s:14]1)[NH:12][c:11]1[c:10]([cH:18][cH:17][cH:16][cH:15]1)[N:9]=[C:8]2[N:19]1[CH2:27][CH2:26][NH:25][CH:24]([CH2:23][CH2:22][O:21][CH3:20])[CH2:29]1Participants
7
Sources & evidence
- ORD record
- ord-566eadec7bd5486aa94752d0944935af
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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