HRID1541135

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID5943

Carbon tetrachloride

CCl4

HCID6342

Acetonitrile

C2H3N

HCID6547

Azobisisobutyronitrile

C8H12N4

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

HCID3681305

Hydrogen phosphate

HO4P-2

HCID12755297

未命名化合物

HCID21071782

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(-c2ccc(C=O)c3occc23)cc1

HCID21071783

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7dfe0749349046b9849dacdb39f4f8c3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([CH3:18])[c:13]3[c:14]2[cH:15][cH:16][o:17]3)[cH:7][cH:8]1.[CH3:55][C:56]#[N:57].[Cl:58][C:59]([Cl:60])([Cl:61])[Cl:62].[K+:44].[K+:45].[K+:54].[N:27]#[C:28][C:29]([N:30]=[N:31][C:32]([C:33]#[N:34])([CH3:35])[CH3:36])([CH3:37])[CH3:38].[O:19]=[C:20]1[N:21]([Br:22])[C:23](=[O:24])[CH2:25][CH2:26]1.[P:39]([O-:40])([O-:41])([OH:42])=[O:43].[c:46]1([CH2:47][Se-:48])[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([CH:18]=[O:19])[c:13]3[c:14]2[cH:15][cH:16][o:17]3)[cH:7][cH:8]1