Methanol → 2-(2,6-Dichloro-4-imidazo[4,5-b]pyridin-3-yl-phenyl)-N-(3-trifluoromethyl-phenyl)-acetamide

반응식

[CH3:33][OH:34].[Cl:1][c:2]1[c:3]([CH2:18][C:19](=[O:20])[OH:21])[c:4]([Cl:17])[cH:5][c:6](-[n:8]2[cH:9][n:10][c:11]3[c:12]2[n:13][cH:14][cH:15][cH:16]3)[cH:7]1.[F:22][C:23]([c:24]1[cH:25][c:26]([NH2:27])[cH:28][cH:29][cH:30]1)([F:31])[F:32]>>[Cl:1][c:2]1[c:3]([CH2:18][C:19](=[O:20])[NH:27][c:26]2[cH:25][c:24]([C:23]([F:22])([F:31])[F:32])[cH:30][cH:29][cH:28]2)[c:4]([Cl:17])[cH:5][c:6](-[n:8]2[cH:9][n:10][c:11]3[c:12]2[n:13][cH:14][cH:15][cH:16]3)[cH:7]1

참가 물질

반응물 3

HCID 887Methanol

HCID 73753-(Trifluoromethyl)aniline

HCID 67021568(2,6-Dichloro-4-imidazo[4,5-b]pyridin-3-yl-phenyl)acetic acid

생성물 1

HCID 670215622-(2,6-Dichloro-4-imidazo[4,5-b]pyridin-3-yl-phenyl)-N-(3-trifluoromethyl-phenyl)-acetamide

출처 및 근거

ORD 기록: ord-1d68d52e51004b45998e3dd0cf7ef7ce
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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