2-amino-5-cyano-N-methylbenzamide → Diethyl (4-{[4-{[4-cyano-2-(methylcarbamoyl)phenyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonate

반응식

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

참가 물질

반응물 2

HCID 672549392-amino-5-cyano-N-methylbenzamide

HCID 86654003Diethyl (4-{[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonate

생성물 1

HCID 58293067Diethyl (4-{[4-{[4-cyano-2-(methylcarbamoyl)phenyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzyl)phosphonate

출처 및 근거

ORD 기록: ord-b9a80b09153e4099bc10dc417ce4057f
출처 데이터셋: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

반응 노트

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