3-Chlorobenzo(b)thiophene-2-carbonyl chloride → tert-Butyl {4-[(3-chloro-benzo[b]thiophene-2-carbonyl)-(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate

반응식

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

참가 물질

반응물 2

HCID 5198983-Chlorobenzo(b)thiophene-2-carbonyl chloride

HCID 68348883tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate

생성물 1

HCID 68348886tert-Butyl {4-[(3-chloro-benzo[b]thiophene-2-carbonyl)-(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate

출처 및 근거

ORD 기록: ord-db251df00b63460faa7f7aba29b146cd
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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