p-(Trifluoromethoxy)phenyl isocyanate → 1-(6-Bromo-2-(2-(2-ethoxypropan-2-yl)phenoxy)pyridin-3-yl)-3-(4-(trifluoromethoxy)phenyl)urea

HRID 672407

반응식

HRID 672407 반응식
[Br:1][c:2]1[cH:3][cH:4][c:5]([NH2:21])[c:6]([O:8][c:9]2[c:10]([C:15]([CH3:16])([CH3:17])[O:18][CH2:19][CH3:20])[cH:11][cH:12][cH:13][cH:14]2)[n:7]1.[F:22][C:23]([O:24][c:25]1[cH:26][cH:27][c:28]([N:31]=[C:32]=[O:33])[cH:29][cH:30]1)([F:34])[F:35]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([NH:21][C:32]([NH:31][c:28]2[cH:27][cH:26][c:25]([O:24][C:23]([F:22])([F:34])[F:35])[cH:30][cH:29]2)=[O:33])[c:6]([O:8][c:9]2[c:10]([C:15]([CH3:16])([CH3:17])[O:18][CH2:19][CH3:20])[cH:11][cH:12][cH:13][cH:14]2)[n:7]1

참가 물질

3

출처 및 근거

ORD 기록
ord-5364586063a14f7f9ce78400d4d2e06a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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