HRID195029

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：Cc1ccc2c(c1)Nc1c(cnn1C)CN2C(=O)C1CCC(CN)CC1

HCID136128398

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2c(c1)Nc1c(cnn1C)CN2C(=O)C1CCC(CNS(C)(=O)=O)CC1

HCID136128403

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5187967548034dd1b5f1f2c408ff3ad0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][S:2]([Cl:3])(=[O:4])=[O:5].[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[Cl:32][CH2:33][Cl:34].[NH2:6][CH2:7][CH:8]1[CH2:9][CH2:10][CH:11]([C:14](=[O:15])[N:16]2[c:17]3[c:18]([cH:27][c:28]([CH3:31])[cH:29][cH:30]3)[NH:19][c:20]3[n:21]([CH3:26])[n:22][cH:23][c:24]3[CH2:25]2)[CH2:12][CH2:13]1>>[CH3:1][S:2](=[O:4])(=[O:5])[NH:6][CH2:7][CH:8]1[CH2:9][CH2:10][CH:11]([C:14](=[O:15])[N:16]2[c:17]3[c:18]([cH:27][c:28]([CH3:31])[cH:29][cH:30]3)[NH:19][c:20]3[n:21]([CH3:26])[n:22][cH:23][c:24]3[CH2:25]2)[CH2:12][CH2:13]1