Ethyl Acetate → 5-Chloro-1H-indole-7-carboxylic acid (4-tert-butyl-benzyl)-[2-(3-hydroxy-phenyl)-ethyl]-amide

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

참가 물질

반응물 2

HCID 8857Ethyl Acetate

HCID 866030545-chloro-1H-indole-7-carboxylic acid [2-(3-benzyloxy-phenyl)-ethyl]-(4-tert-butyl-benzyl)-amide

생성물 1

HCID 866030555-Chloro-1H-indole-7-carboxylic acid (4-tert-butyl-benzyl)-[2-(3-hydroxy-phenyl)-ethyl]-amide

출처 및 근거

ORD 기록: ord-6af2dd4bff8143f4a0c67029c4be2ab3
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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