HRID151149

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID2733380

2-Fluoro-5-(trifluoromethyl)phenyl isocyanate

C8H3F4NO

结构：CC(=O)Nc1[nH]cc(-c2ccc(N)nc2)c1C(N)=O

HCID57845574

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1[nH]cc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)nc2)c1C(N)=O

HCID57845545

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-928270d09edc4eee868e98a0c6962720
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:15]([CH3:16])(=[O:17])[NH:18][c:19]1[nH:20][cH:21][c:22](-[c:27]2[cH:28][n:29][c:30]([NH2:33])[cH:31][cH:32]2)[c:23]1[C:24](=[O:25])[NH2:26].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[F:1][c:2]1[c:3]([N:12]=[C:13]=[O:14])[cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1.[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1>>[F:1][c:2]1[c:3]([NH:12][C:13](=[O:14])[NH:33][c:30]2[n:29][cH:28][c:27](-[c:22]3[cH:21][nH:20][c:19]([NH:18][C:15]([CH3:16])=[O:17])[c:23]3[C:24](=[O:25])[NH2:26])[cH:32][cH:31]2)[cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1