Benzene → 1-(4-Methyl-3-(pyrimidin-5-ylcarbamoyl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea

HRID 142356

반응식

HRID 142356 반응식
[N:18](=[C:19]=[O:20])[c:21]1[cH:22][c:23]([C:27]([F:28])([F:29])[F:30])[cH:24][cH:25][cH:26]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH3:17])[c:6]([C:7](=[O:8])[NH:9][c:10]2[cH:11][n:12][cH:13][n:14][cH:15]2)[cH:16]1.[cH:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH3:17])[c:6]([C:7](=[O:8])[NH:9][c:10]2[cH:11][n:12][cH:13][n:14][cH:15]2)[cH:16]1)[C:19]([NH:18][c:21]1[cH:22][c:23]([C:27]([F:28])([F:29])[F:30])[cH:24][cH:25][cH:26]1)=[O:20]

참가 물질

4

반응물 3

HCID 241BenzeneHCID 94833-(Trifluoromethyl)phenyl isocyanateHCID 248240475-amino-2-methyl-N-(pyrimidin-5-yl)benzamide

생성물 1

HCID 161184651-(4-Methyl-3-(pyrimidin-5-ylcarbamoyl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea

출처 및 근거

ORD 기록
ord-3892b1da03e4487da0b3b633376509e7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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