HRID946788

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

HCID2733369

2,6-difluorobenzoyl isocyanate

C8H3F2NO2

结构：CCNc1cc(Cl)c(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1F

HCID15510310

未命名化合物

PRODUCTS

生成物

结构：CCN(C(=O)NC(=O)c1c(F)cccc1F)c1cc(Cl)c(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1F

HCID9850704

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-585eb6c018514cfc80a87ea4e8c23b4a
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:36]([O:37][CH2:38][CH3:39])(=[O:40])[CH3:41].[CH3:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[Cl:1][c:2]1[c:3]([F:22])[c:4]([NH:5][CH2:6][CH3:7])[cH:8][c:9]([Cl:21])[c:10]1[O:11][C:12]([CH:13]([C:14]([F:15])([F:16])[F:17])[F:18])([F:19])[F:20].[Cl:49][CH2:50][CH2:51][Cl:52].[Cl:53][CH:54]([Cl:55])[CH3:56].[F:23][c:24]1[c:25]([C:26](=[O:27])[N:28]=[C:29]=[O:30])[c:31]([F:35])[cH:32][cH:33][cH:34]1>>[Cl:1][c:2]1[c:3]([F:22])[c:4]([N:5]([CH2:6][CH3:7])[C:29]([NH:28][C:26]([c:25]2[c:24]([F:23])[cH:34][cH:33][cH:32][c:31]2[F:35])=[O:27])=[O:30])[cH:8][c:9]([Cl:21])[c:10]1[O:11][C:12]([CH:13]([C:14]([F:15])([F:16])[F:17])[F:18])([F:19])[F:20]