phenyl (3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)carbamate → 1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(5-(6,7-dimethoxyquinazolin-4-yloxy)-2,4-difluorophenyl)urea

HRID 676346

반응식

HRID 676346 반응식
[C:25]([CH3:26])([CH3:27])([CH3:28])[c:29]1[n:30][n:31](-[c:44]2[cH:45][cH:46][c:47]([CH3:50])[cH:48][cH:49]2)[c:32]([NH:34][C:35]([O:36][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)=[O:37])[cH:33]1.[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[c:17]([F:24])[cH:18][c:19]([F:23])[c:20]([NH2:21])[cH:22]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[c:17]([F:24])[cH:18][c:19]([F:23])[c:20]([NH:21][C:35]([NH:34][c:32]4[n:31](-[c:44]5[cH:45][cH:46][c:47]([CH3:50])[cH:48][cH:49]5)[n:30][c:29]([C:25]([CH3:26])([CH3:27])[CH3:28])[cH:33]4)=[O:36])[cH:22]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]

참가 물질

3

반응물 2

HCID 11057211phenyl (3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)carbamateHCID 668767545-(6,7-Dimethoxyquinazolin-4-yloxy)-2,4-difluoroaniline

생성물 1

HCID 582677661-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(5-(6,7-dimethoxyquinazolin-4-yloxy)-2,4-difluorophenyl)urea

출처 및 근거

ORD 기록
ord-6dada0fbbea041fcb611c019467b935c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

불러오는 중…