HRID155698

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID5943

Carbon tetrachloride

CCl4

HCID6342

Acetonitrile

C2H3N

HCID11776

Triphenylphosphine

C18H15P

反应SMILES：CNCCOc1ccc(C(=C(CCO)c2ccccc2)c2ccccc2)cc1

HCID54252734

未命名化合物

PRODUCTS

产物

反应SMILES：CNCCOc1ccc(C(=C(CCCl)c2ccccc2)c2ccccc2)cc1

HCID119344

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-00c0eaa3c9fb49ec8aa7ffe440f71f67
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:49]([Cl:50])([Cl:51])([Cl:52])[Cl:53].[CH3:54][C:55]#[N:56].[ClH:1].[c:2]1([C:8](=[C:9]([CH2:10][CH2:11][OH:12])[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:19]2[cH:20][cH:21][c:22]([O:25][CH2:26][CH2:27][NH:28][CH3:29])[cH:23][cH:24]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1.[c:30]1([P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[c:2]1([C:8](=[C:9]([CH2:10][CH2:49][Cl:53])[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:19]2[cH:20][cH:21][c:22]([O:25][CH2:26][CH2:27][NH:28][CH3:29])[cH:23][cH:24]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1