Formaldehyde → 6-[3-(3-methoxypropyl)-4-methylpiperazin-1-yl]-8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepine
Reaction equation
[C:33]([O:34][BH-:35]([O:36][C:37](=[O:38])[CH3:39])[O:40][C:41](=[O:42])[CH3:43])(=[O:44])[CH3:45].[CH2:31]=[O:32].[Cl:47][CH2:48][Cl:49].[F:1][C:2]([c:3]1[cH:4][c:5]2[c:6]([cH:27][cH:28]1)[NH:7][c:8]1[c:9]([cH:23][cH:24][cH:25][cH:26]1)[N:10]=[C:11]2[N:12]1[CH2:13][CH:14]([CH2:18][CH2:19][CH2:20][O:21][CH3:22])[NH:15][CH2:16][CH2:17]1)([F:29])[F:30].[Na+:46].[OH2:50]>>[F:1][C:2]([c:3]1[cH:4][c:5]2[c:6]([cH:27][cH:28]1)[NH:7][c:8]1[c:9]([cH:23][cH:24][cH:25][cH:26]1)[N:10]=[C:11]2[N:12]1[CH2:13][CH:14]([CH2:18][CH2:19][CH2:20][O:21][CH3:22])[N:15]([CH3:33])[CH2:16][CH2:17]1)([F:29])[F:30]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-bd53395f27e246009a6b723c7c7f9fa6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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