Chloride → 9-Bromo-6-(4-phenylmethyl-1-piperazinyl)-1,2-dihydrobenzo[b]-pyrrolo[3,2,1-jk][1,4]benzodiazepine
Reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:18][cH:19]1)[N:6]1[c:7]3[c:8]([cH:12][cH:13][cH:14][c:15]3[CH2:16][CH2:17]1)[C:9](=[O:11])[NH:10]2.[CH2:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[N:27]1[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]1.[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[Cl-:35].[Cl-:36].[Cl-:37].[Cl-:38].[Na+:34].[OH-:33].[Ti+4:39]>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:18][cH:19]1)[N:6]1[c:7]3[c:8]([cH:12][cH:13][cH:14][c:15]3[CH2:16][CH2:17]1)[C:9]([N:30]1[CH2:29][CH2:28][N:27]([CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[CH2:32][CH2:31]1)=[N:10]2Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-37ecc3176c2d4043ba902d4dbdedbffd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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