HRID303933

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID66279

1-Propanesulfonyl chloride

C3H7ClO2S

HCID81531

Diisopropylethylamine

C8H19N

结构：N#CCC(=O)Nc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1NC1CCNCC1

HCID67379316

未命名化合物

PRODUCTS

生成物

结构：CCCS(=O)(=O)N1CCC(Nc2c(NC(=O)CC#N)cnc3c2ccn3S(=O)(=O)c2ccccc2)CC1

HCID67342235

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35a2f0c7d643477b912e29f651e52c32
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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