HRID184037

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID2736887

1-methyl-1H-imidazole-4-sulfonyl chloride

C4H5ClN2O2S

结构：CCOC(=O)NC1CCc2ccc(OCCN)cc2C1Cc1ccc(Cl)c(Cl)c1

HCID59547763

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)NC1CCc2ccc(OCCNS(=O)(=O)c3cn(C)cn3)cc2C1Cc1ccc(Cl)c(Cl)c1

HCID46870449

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-571d2376f37849f38e4d67a095b5487a
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

[CH3:31][n:32]1[cH:33][n:34][c:35]([S:37](=[O:38])(=[O:39])[Cl:40])[cH:36]1.[CH3:42][N:43]([c:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1)[CH3:50].[Cl:51][CH2:52][Cl:53].[ClH:1].[NH2:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]2[c:14]([cH:15]1)[CH:13]([CH2:16][c:17]1[cH:18][c:19]([Cl:24])[c:20]([Cl:23])[cH:21][cH:22]1)[CH:12]([NH:25][C:26]([O:27][CH2:28][CH3:29])=[O:30])[CH2:11][CH2:10]2.[OH2:41]>>[NH:2]([CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]2[c:14]([cH:15]1)[CH:13]([CH2:16][c:17]1[cH:18][c:19]([Cl:24])[c:20]([Cl:23])[cH:21][cH:22]1)[CH:12]([NH:25][C:26]([O:27][CH2:28][CH3:29])=[O:30])[CH2:11][CH2:10]2)[S:37]([c:35]1[n:34][cH:33][n:32]([CH3:31])[cH:36]1)(=[O:38])=[O:39]