Benzylamine → 1-Benzyl-3-(4-chloro-phenyl)-1,4,5,6,7,8-hexahydro-pyrrolo[2,3-d]azepine

HRID 290581Notes

Reaction equation

HRID 290581 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15](-[c:25]3[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]3)[cH:16][n:17]2[CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[CH2:13][CH2:14]1)([CH3:5])([CH3:6])[CH3:7].[Cl:32][c:33]1[cH:34][cH:35][c:36]([CH:37]=[CH:38][N+:39]([O-:40])=[O:41])[cH:42][cH:43]1.[NH2:44][CH2:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[NH:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15](-[c:25]3[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]3)[cH:16][n:17]2[CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[CH2:13][CH2:14]1

Participants

4

Reactant 3

HCID 7504BenzylamineHCID 95339p-Chloro-beta-nitrostyreneHCID 672694131-Benzyl-3-(4-chloro-phenyl)-4,5,7,8-tetrahydro-1H-pyrrolo[2,3-d]azepine-6-carboxylic acid tert-butyl ester

Product 1

HCID 597526241-Benzyl-3-(4-chloro-phenyl)-1,4,5,6,7,8-hexahydro-pyrrolo[2,3-d]azepine

Sources & evidence

ORD record
ord-5ed4103aaca446d4ae62ba1934045fe5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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