HRID174244

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(CC1CCCC1)Nc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1NC1CCNCC1

HCID67379631

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)N1CCC(Nc2c(NC(=O)CC3CCCC3)cnc3c2ccn3S(=O)(=O)c2ccccc2)CC1

HCID67346024

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4259e728e56048e0a764c791a7305f02
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:10][S:11]([Cl:12])(=[O:13])=[O:14].[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9].[Cl:49][CH2:50][Cl:51].[c:15]1([S:21](=[O:22])(=[O:23])[n:24]2[cH:25][cH:26][c:27]3[c:28]2[n:29][cH:30][c:31]([NH:40][C:41]([CH2:42][CH:43]2[CH2:44][CH2:45][CH2:46][CH2:47]2)=[O:48])[c:32]3[NH:33][CH:34]2[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]2)[cH:16][cH:17][cH:18][cH:19][cH:20]1>>[CH3:10][S:11](=[O:13])(=[O:14])[N:37]1[CH2:36][CH2:35][CH:34]([NH:33][c:32]2[c:27]3[cH:26][cH:25][n:24]([S:21]([c:15]4[cH:16][cH:17][cH:18][cH:19][cH:20]4)(=[O:22])=[O:23])[c:28]3[n:29][cH:30][c:31]2[NH:40][C:41]([CH2:42][CH:43]2[CH2:44][CH2:45][CH2:46][CH2:47]2)=[O:48])[CH2:39][CH2:38]1