3-tert-Butyl-5-isocyanato-1-phenyl-1H-pyrazole → Cct241161

반응식

[C:22]([CH3:23])([CH3:24])([CH3:25])[c:26]1[n:27][n:28](-[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:29]([N:31]=[C:32]=[O:33])[cH:30]1.[NH2:1][c:2]1[c:3]([S:20][CH3:21])[cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][n:10][c:11]3[c:12]2[n:13][cH:14][c:15](=[O:17])[nH:16]3)[cH:18][cH:19]1>>[NH:1]([c:2]1[c:3]([S:20][CH3:21])[cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][n:10][c:11]3[c:12]2[n:13][cH:14][c:15](=[O:17])[nH:16]3)[cH:18][cH:19]1)[C:32]([NH:31][c:29]1[n:28](-[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[n:27][c:26]([C:22]([CH3:23])([CH3:24])[CH3:25])[cH:30]1)=[O:33]

참가 물질

반응물 2

HCID 110967603-tert-Butyl-5-isocyanato-1-phenyl-1H-pyrazole

HCID 469010918-(4-amino-3-(methylthio)phenoxy)pyrido[3,2-b]pyrazin-3(4H)-one

생성물 1

HCID 44132853Cct241161

출처 및 근거

ORD 기록: ord-db36342fce4d451d868f84d6275c67ef
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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