HRID190149

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

HCID72879

Methanesulfonamide

CH5NO2S

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(C)(=O)=O)ccc2NC1c1cc(Cl)cc(N2CCOCC2)c1

HCID53492710

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6d26517d56e4fcf8a293abdcdd35118
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

[CH3:30][N:31]([CH3:32])[CH2:33][CH2:34][CH2:35][N:36]=[C:37]=[N:38][CH2:39][CH3:40].[CH3:41][S:42](=[O:43])(=[O:44])[NH2:45].[CH3:46][N:47]([CH3:48])[c:49]1[cH:50][cH:51][n:52][cH:53][cH:54]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:55][CH2:56][Cl:57].[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:45][S:42]([CH3:41])(=[O:43])=[O:44])[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