Acetonitrile → 4-[4-(Methylsulfonyl)phenyl]-N-(pyridin-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine

HRID 195082

반응식

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

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 310183-Pyridinemethanamine

HCID 111764432-(Methylsulfonyl)-4-[4-(methylsulfonyl)phenyl]-6-(trifluoromethyl)pyrimidine

생성물 1

HCID 102728424-[4-(Methylsulfonyl)phenyl]-N-(pyridin-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine

출처 및 근거

ORD 기록: ord-99d7146936d54f5e98ba914e77558e5e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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