5-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxybenzenesulfonamide → 5-[5-(4-Chloro-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-N-(2-hydroxy-1,1-dimethyl-ethyl)-2-methoxy-benzenesulfonamide

반응식

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

참가 물질

반응물 2

HCID 275180375-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxybenzenesulfonamide

HCID 866080485-(4-Chloro-phenyl)-3-ethynyl-pyrazolo[1,5-a]pyrimidine

생성물 1

HCID 118516175-[5-(4-Chloro-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-N-(2-hydroxy-1,1-dimethyl-ethyl)-2-methoxy-benzenesulfonamide

출처 및 근거

ORD 기록: ord-433e9099f1334286b9014104137f5ab2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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