4-Bromo-1-methyl-1H-pyrazole-3-carbonitrile → N-[2-[4-(3-cyano-1-methylpyrazol-4-yl)phenyl]phenyl]propane-2-sulfonamide

반응식

[Br:1][c:2]1[c:3]([C:8]#[N:9])[n:4][n:5]([CH3:7])[cH:6]1.[CH3:10][C:11]1([CH3:12])[C:13]([CH3:14])([CH3:15])[O:16][B:17]([c:18]2[cH:19][cH:20][c:21](-[c:24]3[c:25]([NH:30][S:31](=[O:32])(=[O:33])[CH:34]([CH3:35])[CH3:36])[cH:26][cH:27][cH:28][cH:29]3)[cH:22][cH:23]2)[O:37]1>>[c:2]1(-[c:18]2[cH:19][cH:20][c:21](-[c:24]3[c:25]([NH:30][S:31](=[O:32])(=[O:33])[CH:34]([CH3:35])[CH3:36])[cH:26][cH:27][cH:28][cH:29]3)[cH:22][cH:23]2)[c:3]([C:8]#[N:9])[n:4][n:5]([CH3:7])[cH:6]1

참가 물질

반응물 2

HCID 455943224-Bromo-1-methyl-1H-pyrazole-3-carbonitrile

HCID 57975153Propane-2-sulfonic acid [4'-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-biphenyl-2-yl]-amide

생성물 1

HCID 70334822N-[2-[4-(3-cyano-1-methylpyrazol-4-yl)phenyl]phenyl]propane-2-sulfonamide

출처 및 근거

ORD 기록: ord-73d3e98ce59941b5bbb9b4b3dd4a57d7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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