HRID1128819

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

HCID178483174

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1C1CCN(CC(CC2CCCCC2)N(C)C(=O)C(C)(C)C)CC1

HCID178489303

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46c2a7a45b5e46fea5e56c9fa85a05a8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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