HRID2334590

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID7370

Benzenesulfonamide

C6H7NO2S

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

结构：COc1cc(C(=O)O)ccc1CN1CCOc2ccc(NC(=O)OC3CCCC3)cc21

HCID14763129

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1CN1CCOc2ccc(NC(=O)OC3CCCC3)cc21

HCID14763130

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eeb11715f4e84bc8906dbc99dc7480f9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:43][N:44]([CH3:45])[CH2:46][CH2:47][CH2:48][N:49]=[C:50]=[N:51][CH2:52][CH3:53].[CH3:54][N:55]([CH3:56])[c:57]1[cH:58][cH:59][n:60][cH:61][cH:62]1.[CH:11]1([O:16][C:17](=[O:18])[NH:19][c:20]2[cH:21][cH:22][c:23]3[c:24]([cH:41]2)[N:25]([CH2:29][c:30]2[c:31]([O:39][CH3:40])[cH:32][c:33]([C:34](=[O:35])[OH:36])[cH:37][cH:38]2)[CH2:26][CH2:27][O:28]3)[CH2:12][CH2:13][CH2:14][CH2:15]1.[Cl:63][CH2:64][Cl:65].[ClH:42].[c:1]1([S:7](=[O:8])(=[O:9])[NH2:10])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[NH:10][C:34]([c:33]2[cH:32][c:31]([O:39][CH3:40])[c:30]([CH2:29][N:25]3[c:24]4[c:23]([cH:22][cH:21][c:20]([NH:19][C:17]([O:16][CH:11]5[CH2:12][CH2:13][CH2:14][CH2:15]5)=[O:18])[cH:41]4)[O:28][CH2:27][CH2:26]3)[cH:38][cH:37]2)=[O:35])[cH:2][cH:3][cH:4][cH:5][cH:6]1