2-(Chloromethyl)-4-fluoro-1-(trifluoromethyl)benzene → 6-[4-(5-FLUORO-2-TRIFLUOROMETHYLBENZYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (3-CYCLOPROPYLPROPYL)AMIDE

반응식

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

참가 물질

반응물 2

HCID 27591692-(Chloromethyl)-4-fluoro-1-(trifluoromethyl)benzene

HCID 668493796-Piperazin-1-yl-pyridazine-3-carboxylic acid (3-cyclopropylpropyl)amide

생성물 1

HCID 670122286-[4-(5-FLUORO-2-TRIFLUOROMETHYLBENZYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (3-CYCLOPROPYLPROPYL)AMIDE

출처 및 근거

ORD 기록: ord-756547dc2daa4bc4ac5fadd99656cc7a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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