Diethyl 3-chloro-4-aminobenzylphosphonate → Diethyl (3-chloro-4-{[4-{[2-(methylcarbamoyl)phenyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonate

반응식

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

참가 물질

반응물 2

HCID 19077629Diethyl 3-chloro-4-aminobenzylphosphonate

HCID 866338612-((2-Chloro-5-(trifluoromethyl)pyrimidin-4-yl)amino)-N-methylbenzamide

생성물 1

HCID 49821188Diethyl (3-chloro-4-{[4-{[2-(methylcarbamoyl)phenyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonate

출처 및 근거

ORD 기록: ord-e38d31e8a9094278b083f06dcef19c3b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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