2-Fluorobenzoic acid → N-Ethyl-2-fluoro-N-[3,3,3-trifluoro-2-({[1-(4-fluorophenyl)-6-methyl-1H-indazol-4-yl]amino}methyl)-2-hydroxypropyl]benzamide

반응식

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

참가 물질

반응물 2

HCID 99352-Fluorobenzoic acid

HCID 593241453-(Ethylamino)-1,1,1-trifluoro-2-({[1-(4-fluorophenyl)-6-methyl-1H-indazol-4-yl]amino}methyl)-2-propanol

생성물 1

HCID 45267615N-Ethyl-2-fluoro-N-[3,3,3-trifluoro-2-({[1-(4-fluorophenyl)-6-methyl-1H-indazol-4-yl]amino}methyl)-2-hydroxypropyl]benzamide

출처 및 근거

ORD 기록: ord-aa8f1770e3d545bda81be78af882d008
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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