3-Chlorobenzo(b)thiophene-2-carbonyl chloride → (4-{(3-Chloro-benzo[b]thiophene-2-carbonyl)-[4-fluoro-4'-(2,2,2-trifluoro-acetyl)-biphenyl-3-ylmethyl]-amino}-cyclohexyl)-methyl-carbamic acid tert-butyl ester

HRID 189096

반응식

HRID 189096 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[CH:9]1[CH2:10][CH2:11][CH:12]([NH:15][CH2:16][c:17]2[cH:18][c:19](-[c:24]3[cH:25][cH:26][c:27]([C:30]([C:31]([F:32])([F:33])[F:34])=[O:35])[cH:28][cH:29]3)[cH:20][cH:21][c:22]2[F:23])[CH2:13][CH2:14]1)=[O:36].[Cl:37][c:38]1[c:39]2[c:40]([s:41][c:42]1[C:43](=[O:44])[Cl:45])[cH:46][cH:47][cH:48][cH:49]2>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[CH:9]1[CH2:10][CH2:11][CH:12]([N:15]([CH2:16][c:17]2[cH:18][c:19](-[c:24]3[cH:25][cH:26][c:27]([C:30]([C:31]([F:32])([F:33])[F:34])=[O:35])[cH:28][cH:29]3)[cH:20][cH:21][c:22]2[F:23])[C:43]([c:42]2[c:38]([Cl:37])[c:39]3[c:40]([s:41]2)[cH:46][cH:47][cH:48][cH:49]3)=[O:44])[CH2:13][CH2:14]1)=[O:36]

참가 물질

3

반응물 2

HCID 5198983-Chlorobenzo(b)thiophene-2-carbonyl chlorideHCID 59766911(4-{[4-Fluoro-4'-(2,2,2-trifluoro-acetyl)-biphenyl-3-ylmethyl]-amino}-cyclohexyl)-methyl-carbamic acid tert-butyl ester

생성물 1

HCID 59766908(4-{(3-Chloro-benzo[b]thiophene-2-carbonyl)-[4-fluoro-4'-(2,2,2-trifluoro-acetyl)-biphenyl-3-ylmethyl]-amino}-cyclohexyl)-methyl-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-7050ab36d9c9438fa225827663da0f29
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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