Methanol → (6-fluoro-4-(5-methyl-1H-pyrazol-3-ylamino)quinazolin-2-yl)(4-fluorophenyl)methanone

반응식

[CH3:22][c:23]1[cH:24][c:25]([NH2:28])[n:26][nH:27]1.[CH3:29][OH:30].[Cl:1][c:2]1[n:3][c:4]([C:13](=[O:14])[c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[n:5][c:6]2[cH:7][cH:8][c:9]([F:12])[cH:10][c:11]12>>[c:2]1([NH:28][c:25]2[cH:24][c:23]([CH3:22])[nH:27][n:26]2)[n:3][c:4]([C:13](=[O:14])[c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[n:5][c:6]2[cH:7][cH:8][c:9]([F:12])[cH:10][c:11]12

참가 물질

반응물 3

HCID 887Methanol

HCID 931461H-Pyrazol-3-amine, 5-methyl-

HCID 86649063(4-Chloro-6-fluoroquinazolin-2-yl)(4-fluorophenyl)methanone

생성물 1

HCID 46893252(6-fluoro-4-(5-methyl-1H-pyrazol-3-ylamino)quinazolin-2-yl)(4-fluorophenyl)methanone

출처 및 근거

ORD 기록: ord-61269c3d1e2c4810839eac0c5735b12c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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