Dichloromethane → 7-chloro-6-(4-methyl-thiazol-2-ylthiomethyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 673358963-tert-butoxycarbonyl-7-chloro-6-(4-methyl-thiazol-2-ylthiomethyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

생성물 1

HCID 598222817-chloro-6-(4-methyl-thiazol-2-ylthiomethyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

출처 및 근거

ORD 기록: ord-b4b360ef6b8441a59c2f9d05da20184a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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