2-Chlorobenzoic Acid → 2-Chloro-N-propyl-N-[3,3,3-trifluoro-2-({[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}methyl)-2-hydroxypropyl]benzamide

반응식

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

참가 물질

반응물 2

HCID 83742-Chlorobenzoic Acid

HCID 593241371,1,1-Trifluoro-3-{[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}-2-[(propylamino)methyl]-2-propanol

생성물 1

HCID 593241562-Chloro-N-propyl-N-[3,3,3-trifluoro-2-({[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}methyl)-2-hydroxypropyl]benzamide

출처 및 근거

ORD 기록: ord-76f23eeebed6447084c2e69cca6bcb6a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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