HRID302901

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID11983909

2-METHOXY-5-TRIFLUOROMETHYLPHENYL ISOCYANATE

C9H6F3NO2

结构：COC(=O)C=Cc1cccc(F)c1N=P(c1ccccc1)(c1ccccc1)c1ccccc1

HCID73162602

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C=Cc1cccc(F)c1N=C=Nc1cc(C(F)(F)F)ccc1OC

HCID72436574

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8da3f7eb7ac54b86a9475f97b7e20bc9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Cl:49][CH2:50][Cl:51].[F:1][c:2]1[c:3]([N:14]=[P:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:4]([CH:8]=[CH:9][C:10](=[O:11])[O:12][CH3:13])[cH:5][cH:6][cH:7]1.[N:34](=[C:35]=[O:36])[c:37]1[c:38]([O:47][CH3:48])[cH:39][cH:40][c:41]([C:43]([F:44])([F:45])[F:46])[cH:42]1>>[F:1][c:2]1[c:3]([N:14]=[C:35]=[N:34][c:37]2[c:38]([O:47][CH3:48])[cH:39][cH:40][c:41]([C:43]([F:44])([F:45])[F:46])[cH:42]2)[c:4]([CH:8]=[CH:9][C:10](=[O:11])[O:12][CH3:13])[cH:5][cH:6][cH:7]1