HRID1118817

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID2760919

Cyclopropanesulfonyl chloride

C3H5ClO2S

结构：CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4C)n2)CNCC3)cc1

HCID66688405

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4C)n2)CN(S(=O)(=O)C2CC2)CC3)cc1

HCID67178072

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ebe028247abf4de9851f64a07cdce39e
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

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