Ethyl Acetate → N-(4-tert-butyl-benzyl)-3-chloro-2-fluoro-N-[2-(3-hydroxy-phenyl)-ethyl]-5-trifluoromethyl-benzamide

반응식

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

참가 물질

반응물 2

HCID 8857Ethyl Acetate

HCID 68562844N-[2-(3-benzyloxy-phenyl)-ethyl]-N-(4-tert-butyl-benzyl)-3-chloro-2-fluoro-5-trifluoromethyl-benzamide

생성물 1

HCID 68561896N-(4-tert-butyl-benzyl)-3-chloro-2-fluoro-N-[2-(3-hydroxy-phenyl)-ethyl]-5-trifluoromethyl-benzamide

출처 및 근거

ORD 기록: ord-7c5180e64c8a4a99877495a68ccdae7c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…