[3-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]carbamic acid → 3-(4-Methylpiperazin-1-YL)-5-(trifluoromethyl)aniline

반응식

[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[cH:9][c:10]([NH:18][C:19](=[O:20])[OH:21])[cH:11][c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]2)[CH2:6][CH2:7]1.[O:22]1[CH2:23][CH2:24][N:25]([c:26]2[cH:27][c:28]([NH:29][C:30](=[O:31])[OH:32])[cH:33][c:34]([C:35]([F:36])([F:37])[F:38])[cH:39]2)[CH2:40][CH2:41]1>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[cH:9][c:10]([NH2:18])[cH:11][c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]2)[CH2:6][CH2:7]1

참가 물질

반응물 2

HCID 67214116[3-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]carbamic acid

HCID 67214195[3-Morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamic acid

생성물 1

HCID 185430443-(4-Methylpiperazin-1-YL)-5-(trifluoromethyl)aniline

출처 및 근거

ORD 기록: ord-bfc2f1cd58c84251a3c0f4368da57fd7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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