HRID1216326

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID8857

Ethyl acetate

C4H8O2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID81531

Diisopropylethylamine

C8H19N

HCID7330471

2,3-dimethylpyridin-4-amine

C7H10N2

HCID11426991

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)N1CCN(CC2CC(c3ccc(CN4CCCC4)cc3)C2)CC1

HCID21934879

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fefe6eb854e346d7a45f53d207ff1845
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:33][c:34]1[c:35]([CH3:36])[n:37][cH:38][cH:39][c:40]1[NH2:41].[CH3:42][S:43](=[O:44])(=[O:45])[Cl:46].[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[CH:24]([N:25]([CH:26]([CH3:27])[CH3:28])[CH2:29][CH3:30])([CH3:31])[CH3:32].[Cl:48][CH2:49][CH2:50][Cl:51].[ClH:47].[N:1]1([CH2:6][c:7]2[cH:8][cH:9][c:10]([CH:13]3[CH2:14][CH:15]([CH2:17][N:18]4[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]4)[CH2:16]3)[cH:11][cH:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1>>[N:1]1([CH2:6][c:7]2[cH:8][cH:9][c:10]([CH:13]3[CH2:14][CH:15]([CH2:17][N:18]4[CH2:19][CH2:20][N:21]([S:43]([CH3:42])(=[O:44])=[O:45])[CH2:22][CH2:23]4)[CH2:16]3)[cH:11][cH:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1