5-Amino-2-[4-(2-hydroxyethyl)piperazin-1-yl]benzonitrile → 1-(3-Chloro-4-fluorophenyl)-N-{3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}-5-methylpyrazole-4-carboxamide

HRID 1118839노트

반응식

HRID 1118839 반응식
[Cl:1][c:2]1[cH:3][c:4](-[n:9]2[n:10][cH:11][c:12]([C:15](=[O:16])[OH:17])[c:13]2[CH3:14])[cH:5][cH:6][c:7]1[F:8].[NH2:18][c:19]1[cH:20][cH:21][c:22]([N:27]2[CH2:28][CH2:29][N:30]([CH2:33][CH2:34][OH:35])[CH2:31][CH2:32]2)[c:23]([C:24]#[N:25])[cH:26]1>>[Cl:1][c:2]1[cH:3][c:4](-[n:9]2[n:10][cH:11][c:12]([C:15](=[O:17])[NH:18][c:19]3[cH:20][cH:21][c:22]([N:27]4[CH2:28][CH2:29][N:30]([CH2:33][CH2:34][OH:35])[CH2:31][CH2:32]4)[c:23]([C:24]#[N:25])[cH:26]3)[c:13]2[CH3:14])[cH:5][cH:6][c:7]1[F:8]

참가 물질

3

반응물 2

HCID 176095935-Amino-2-[4-(2-hydroxyethyl)piperazin-1-yl]benzonitrileHCID 222279051-(3-Chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid

생성물 1

HCID 222279901-(3-Chloro-4-fluorophenyl)-N-{3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}-5-methylpyrazole-4-carboxamide

출처 및 근거

ORD 기록
ord-bf731faf953842d6b7c1988922d1c837
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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