Dichloromethane → [4-Amino-2-[[4-(1-piperazinyl)phenyl]amino]-5-thiazolyl](3-fluorophenyl)methanone

반응식

[Cl:39][CH2:40][Cl:41].[F:32][C:33]([F:34])([F:35])[C:36]([OH:37])=[O:38].[NH2:1][c:2]1[n:3][c:4]([NH:16][c:17]2[cH:18][cH:19][c:20]([N:23]3[CH2:24][CH2:25][N:26]([C:29]([OH:30])=[O:31])[CH2:27][CH2:28]3)[cH:21][cH:22]2)[s:5][c:6]1[C:7]([c:8]1[cH:9][c:10]([F:14])[cH:11][cH:12][cH:13]1)=[O:15]>>[NH2:1][c:2]1[n:3][c:4]([NH:16][c:17]2[cH:18][cH:19][c:20]([N:23]3[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]3)[cH:21][cH:22]2)[s:5][c:6]1[C:7]([c:8]1[cH:9][c:10]([F:14])[cH:11][cH:12][cH:13]1)=[O:15]

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 219589084-[4-[[4-Amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]phenyl]piperazine-1-carboxylic acid

생성물 1

HCID 9800951[4-Amino-2-[[4-(1-piperazinyl)phenyl]amino]-5-thiazolyl](3-fluorophenyl)methanone

출처 및 근거

ORD 기록: ord-041e452ce1e84151ac49737a1a8681e7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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