HRID682392

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID72879

Methanesulfonamide

CH5NO2S

结构：Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)c1OC1CCC1

HCID25160282

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(C(=O)NC2(C(=O)NS(C)(=O)=O)Cc3ccccc3C2)c1OC1CCC1

HCID25161304

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dde3c7241e1e4b2ab8de904f4cdbe4be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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