HRID1536311

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

结构：COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1

HCID9865577

未命名化合物

PRODUCTS

生成物

结构：COc1cc(Br)ccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1

HCID21473483

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5ba2018ba164e87980f760fb371d8d9
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

[Br:31][N:32]1[C:33](=[O:34])[CH2:35][CH2:36][C:37]1=[O:38].[CH2:45]([Cl:46])[Cl:47].[CH3:1][O:2][c:3]1[c:4]([N:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][NH:18][c:19]3[c:20]([C:21](=[O:22])[N:23]([CH3:24])[CH3:25])[cH:26][cH:27][cH:28][n:29]3)[CH2:13][CH2:14]2)[cH:5][cH:6][cH:7][cH:8]1.[CH3:48][OH:49].[ClH:30].[K+:39].[K+:40].[O-:41][C:42]([O-:43])=[O:44].[OH2:50]>>[CH3:1][O:2][c:3]1[c:4]([N:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][NH:18][c:19]3[c:20]([C:21](=[O:22])[N:23]([CH3:24])[CH3:25])[cH:26][cH:27][cH:28][n:29]3)[CH2:13][CH2:14]2)[cH:5][cH:6][c:7]([Br:31])[cH:8]1