Formaldehyde → 2-fluoro-6-[3-(3-methoxypropyl)-4-methylpiperazin-1-yl]-8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepine
Reaction equation
[C:34]([O:35][BH-:36]([O:37][C:38](=[O:39])[CH3:40])[O:41][C:42](=[O:43])[CH3:44])(=[O:45])[CH3:46].[C:52](=[O:53])([OH:54])[O-:55].[CH2:32]=[O:33].[Cl:48][CH:49]([Cl:50])[CH3:51].[F:1][c:2]1[cH:3][c:4]2[c:5]([cH:30][cH:31]1)[N:6]=[C:7]([N:19]1[CH2:20][CH:21]([CH2:25][CH2:26][CH2:27][O:28][CH3:29])[NH:22][CH2:23][CH2:24]1)[c:8]1[c:9]([cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]1)[NH:10]2.[Na+:47].[Na+:56]>>[F:1][c:2]1[cH:3][c:4]2[c:5]([cH:30][cH:31]1)[N:6]=[C:7]([N:19]1[CH2:20][CH:21]([CH2:25][CH2:26][CH2:27][O:28][CH3:29])[N:22]([CH3:34])[CH2:23][CH2:24]1)[c:8]1[c:9]([cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]1)[NH:10]2Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-5be7cd7a31ef45799169f43f7f24b1a8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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