HRID100207

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID15765418

Cyclopropanesulfonamide

C3H7NO2S

结构：CC1(C)Cc2cc(C(=O)O)ccc2NC1c1cc(Cl)cc(N2CCOCC2)c1

HCID53492708

未命名化合物

PRODUCTS

生成物

结构：CC1(C)Cc2cc(C(=O)NS(=O)(=O)C3CC3)ccc2NC1c1cc(Cl)cc(N2CCOCC2)c1

HCID53492709

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-541dee53003d43aa92718f13108f86cd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:30][N:31]([CH3:32])[CH2:33][CH2:34][CH2:35][N:36]=[C:37]=[N:38][CH2:39][CH3:40].[CH3:48][N:49]([CH3:50])[c:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1.[CH:41]1([S:44](=[O:45])(=[O:46])[NH2:47])[CH2:42][CH2:43]1.[Cl:1][c:2]1[cH:3][c:4]([CH:14]2[NH:15][c:16]3[cH:17][cH:18][c:19]([C:26](=[O:27])[OH:28])[cH:20][c:21]3[CH2:22][C:23]2([CH3:24])[CH3:25])[cH:5][c:6]([N:8]2[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[cH:7]1.[Cl:57][CH2:58][Cl:59].[ClH:29]>>[Cl:1][c:2]1[cH:3][c:4]([CH:14]2[NH:15][c:16]3[cH:17][cH:18][c:19]([C:26](=[O:27])[NH:47][S:44]([CH:41]4[CH2:42][CH2:43]4)(=[O:45])=[O:46])[cH:20][c:21]3[CH2:22][C:23]2([CH3:24])[CH3:25])[cH:5][c:6]([N:8]2[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[cH:7]1