Toluene → 1-(4-(2-Fluorobenzyloxy)phenyl)-3-(5-tert-butylisoxazol-3-yl)urea

반응식

[C:17]([CH3:18])([CH3:19])([CH3:20])[c:21]1[cH:22][c:23]([N:26]=[C:27]=[O:28])[n:24][o:25]1.[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[F:1][c:2]1[c:3]([CH2:4][O:5][c:6]2[cH:7][cH:8][c:9]([NH2:12])[cH:10][cH:11]2)[cH:13][cH:14][cH:15][cH:16]1>>[F:1][c:2]1[c:3]([CH2:4][O:5][c:6]2[cH:7][cH:8][c:9]([NH:12][C:27]([NH:26][c:23]3[cH:22][c:21]([C:17]([CH3:18])([CH3:19])[CH3:20])[o:25][n:24]3)=[O:28])[cH:10][cH:11]2)[cH:13][cH:14][cH:15][cH:16]1

참가 물질

반응물 3

HCID 1140Toluene

HCID 129188385-Tert-butyl-3-isocyanato-1,2-oxazole

HCID 176080564-(2-Fluoro-benzyloxy)-phenylamine

생성물 1

HCID 114632231-(4-(2-Fluorobenzyloxy)phenyl)-3-(5-tert-butylisoxazol-3-yl)urea

출처 및 근거

ORD 기록: ord-328164f1146947f7ac865ec27a1da96f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…