HRID306923

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID1049

Pyridine

C5H5N

HCID3283

Diethyl Ether

C4H10O

HCID93218

2-Hydroxy-2-(3-phenoxyphenyl)acetonitrile

C14H11NO2

HCID20485210

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(C=C(Cl)Cl)C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1

HCID13246114

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d796851819d4299830cd07f80056493
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

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