4-Methylbenzylamine → 10-[(4-Chlorophenoxy)acetyl]-N-(4-methylbenzyl)-10,11-dihydro-5H-pyrrolo[2,1-C][1,4]benzodiazepine-3-carboxamide

Reaction equation

[CH3:32][c:33]1[cH:34][cH:35][c:36]([CH2:37][NH2:38])[cH:39][cH:40]1.[Cl:1][C:2]([C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]2[n:14]1[CH2:13][c:12]1[c:11]([cH:18][cH:17][cH:16][cH:15]1)[N:10]([C:19]([CH2:20][O:21][c:22]1[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]1)=[O:29])[CH2:9]2)([Cl:30])[Cl:31]>>[C:3](=[O:4])([c:5]1[cH:6][cH:7][c:8]2[n:14]1[CH2:13][c:12]1[c:11]([cH:18][cH:17][cH:16][cH:15]1)[N:10]([C:19]([CH2:20][O:21][c:22]1[cH:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]1)=[O:29])[CH2:9]2)[NH:38][CH2:37][c:36]1[cH:35][cH:34][c:33]([CH3:32])[cH:40][cH:39]1

Participants

Reactant 2

HCID 660354-Methylbenzylamine

HCID 160392192,2,2-trichloro-1-{10-[(4-chlorophenoxy)acetyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl}ethanone

Product 1

HCID 1603922210-[(4-Chlorophenoxy)acetyl]-N-(4-methylbenzyl)-10,11-dihydro-5H-pyrrolo[2,1-C][1,4]benzodiazepine-3-carboxamide

Sources & evidence

ORD record: ord-4269be21dbd34acc9cb183e34c01665a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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