Dimethyl Sulfoxide → (4-fluorophenyl)(7-hydroxy-4-(5-methyl-1H-pyrazol-3-ylamino)quinazolin-2-yl)methanone

반응식

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

참가 물질

반응물 3

HCID 679Dimethyl Sulfoxide

HCID 6344Dichloromethane

HCID 1358951832-((4-fluorophenyl)(hydroxy)methyl)-4-(5-methyl-1H-pyrazol-3-ylamino)quinazolin-7-ol

생성물 1

HCID 135895184(4-fluorophenyl)(7-hydroxy-4-(5-methyl-1H-pyrazol-3-ylamino)quinazolin-2-yl)methanone

출처 및 근거

ORD 기록: ord-d9032a1012ec4568ab0c697573e455c8
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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