2-Methyl-3-buten-2-ol → N-(3-{2-(1,1-dimethylethyl)-5-[2-(3-hydroxy-3-methylbutyl)-4-pyrimidinyl]-1,3-thiazol-4-yl}-2-fluorophenyl)-2,5-difluorobenzenesulfonamide

HRID 114617

반응식

HRID 114617 반응식
[CH3:36][C:37]([CH3:38])([CH:39]=[CH2:40])[OH:41].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[c:18]([F:35])[c:19]([NH:23][S:24](=[O:25])(=[O:26])[c:27]4[c:28]([F:34])[cH:29][cH:30][c:31]([F:33])[cH:32]4)[cH:20][cH:21][cH:22]3)[n:10][c:11]([C:13]([CH3:14])([CH3:15])[CH3:16])[s:12]2)[n:7]1>>[c:2]1([CH2:40][CH2:39][C:37]([CH3:36])([CH3:38])[OH:41])[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[c:18]([F:35])[c:19]([NH:23][S:24](=[O:25])(=[O:26])[c:27]4[c:28]([F:34])[cH:29][cH:30][c:31]([F:33])[cH:32]4)[cH:20][cH:21][cH:22]3)[n:10][c:11]([C:13]([CH3:14])([CH3:15])[CH3:16])[s:12]2)[n:7]1

참가 물질

3

반응물 2

HCID 82572-Methyl-3-buten-2-olHCID 44516823N-[3-[5-(2-chloro-4-pyrimidinyl)-2-(1,1-dimethylethyl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide

생성물 1

HCID 57990081N-(3-{2-(1,1-dimethylethyl)-5-[2-(3-hydroxy-3-methylbutyl)-4-pyrimidinyl]-1,3-thiazol-4-yl}-2-fluorophenyl)-2,5-difluorobenzenesulfonamide

출처 및 근거

ORD 기록
ord-7156922061ce47d29fc7f488fd92aec7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

불러오는 중…