Water → 6-[3-(2-methoxyethyl)piperazin-1-yl]-8-propan-2-yl-11H-benzo[b][1,4]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.[CH3:30][N:31]1[CH2:32][CH2:33][CH2:34][C:35]1=[O:36].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][c:6]2[c:7]([cH:18][cH:19]1)[NH:8][c:9]1[c:10]([cH:14][cH:15][cH:16][cH:17]1)[N:11]=[C:12]2[NH2:13].[OH2:37]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][c:6]2[c:7]([cH:18][cH:19]1)[NH:8][c:9]1[c:10]([cH:14][cH:15][cH:16][cH:17]1)[N:11]=[C:12]2[N:13]1[CH2:27][CH2:26][NH:25][CH:24]([CH2:23][CH2:22][O:21][CH3:20])[CH2:29]1Participants
5
Sources & evidence
- ORD record
- ord-6f2d33aa7dd64805a2fb843556b480db
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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