HRID94034

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2733380

2-Fluoro-5-(trifluoromethyl)phenyl isocyanate

C8H3F4NO

结构：Nc1ccc(Oc2ccnc3nc(C(F)(F)F)c(=O)[nH]c23)c2ccccc12

HCID46901253

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cc(C(F)(F)F)ccc1F)Nc1ccc(Oc2ccnc3nc(C(F)(F)F)c(=O)[nH]c23)c2ccccc12

HCID44132210

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f18eb80d3e494d24a39cb4ddb2a7452c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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