1-(Piperidin-4-yl)-1,4-diazepan-5-one → 1-[1-[2-(6-Tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperidin-4-yl]-1,4-diazepan-5-one

HRID 173508Notes

Reaction equation

HRID 173508 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([O:35][CH2:36][CH3:37])[c:8]([C:11]2=[N:15][C:14]([CH3:16])([c:17]3[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[C:13]([CH3:24])([c:25]3[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]3)[N:12]2[C:32](=[O:33])[Cl:34])[cH:9][n:10]1.[NH:38]1[CH2:39][CH2:40][CH:41]([N:44]2[CH2:45][CH2:46][NH:47][C:48](=[O:51])[CH2:49][CH2:50]2)[CH2:42][CH2:43]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([O:35][CH2:36][CH3:37])[c:8]([C:11]2=[N:15][C:14]([CH3:16])([c:17]3[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[C:13]([CH3:24])([c:25]3[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]3)[N:12]2[C:32](=[O:33])[N:38]2[CH2:39][CH2:40][CH:41]([N:44]3[CH2:45][CH2:46][NH:47][C:48](=[O:51])[CH2:49][CH2:50]3)[CH2:42][CH2:43]2)[cH:9][n:10]1

Participants

3

Reactant 2

HCID 227220141-(Piperidin-4-yl)-1,4-diazepan-5-oneHCID 76588499rac-(4S*,5R*)-2-(6-tert-butyl-4-ethoxy-pyridin-3-yl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl chloride

Product 1

HCID 687310251-[1-[2-(6-Tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperidin-4-yl]-1,4-diazepan-5-one

Sources & evidence

ORD record
ord-f071d5786473462aa7f8e9c5abfc9097
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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