Dichloromethane → N-(3,5-Bis-trifluoromethyl-benzyl)-N-(7-methyl-8-trifluoromethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)-acetamide

반응식

[C:1]([O:2][C:3](=[O:4])[N:8]1[c:9]2[c:10]([cH:34][c:35]([CH3:42])[c:36]([C:38]([F:39])([F:40])[F:41])[cH:37]2)[CH:11]([N:15]([CH2:16][c:17]2[cH:18][c:19]([C:27]([F:28])([F:29])[F:30])[cH:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]2)[C:31]([CH3:32])=[O:33])[CH2:12][CH2:13][CH2:14]1)([CH3:5])([CH3:6])[CH3:7].[Cl:50][CH2:51][Cl:52].[F:43][C:44]([F:45])([F:46])[C:47]([OH:48])=[O:49]>>[NH:8]1[c:9]2[c:10]([cH:34][c:35]([CH3:42])[c:36]([C:38]([F:39])([F:40])[F:41])[cH:37]2)[CH:11]([N:15]([CH2:16][c:17]2[cH:18][c:19]([C:27]([F:28])([F:29])[F:30])[cH:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]2)[C:31]([CH3:32])=[O:33])[CH2:12][CH2:13][CH2:14]1

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 87339233HCID 87339233, 화합물

생성물 1

HCID 86616070N-(3,5-Bis-trifluoromethyl-benzyl)-N-(7-methyl-8-trifluoromethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)-acetamide

출처 및 근거

ORD 기록: ord-5a638143a9844a28a95e60012dcfcc1d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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