HRID813444

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

HCID9480

Benzenamine, 3,5-bis(trifluoromethyl)-

C8H5F6N

结构：O=C(c1cnccc1Oc1cc(Cl)ccc1Cl)N1CCCc2ccccc21

HCID53311781

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnccc1Oc1cc(Cl)ccc1Cl

HCID86655953

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89dbb44663234cf0bea0c816bc6f39b9
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:43]([O:44][CH2:45][CH3:46])(=[O:47])[CH3:48].[CH3:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH3:55].[Cl:1][c:2]1[c:3]([O:4][c:5]2[c:6]([C:11](=[O:12])[N:13]3[c:14]4[c:15]([cH:16][cH:17][cH:18][cH:19]4)[CH2:20][CH2:21][CH2:22]3)[cH:7][n:8][cH:9][cH:10]2)[cH:23][c:24]([Cl:27])[cH:25][cH:26]1.[F:28][C:29]([c:30]1[cH:31][c:32]([NH2:33])[cH:34][c:35]([C:37]([F:38])([F:39])[F:40])[cH:36]1)([F:41])[F:42]>>[Cl:1][c:2]1[c:3]([O:4][c:5]2[c:6]([C:11](=[O:12])[NH:33][c:32]3[cH:31][c:30]([C:29]([F:28])([F:41])[F:42])[cH:36][c:35]([C:37]([F:38])([F:39])[F:40])[cH:34]3)[cH:7][n:8][cH:9][cH:10]2)[cH:23][c:24]([Cl:27])[cH:25][cH:26]1