HRID125675

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID72879

Methanesulfonamide

CH5NO2S

结构：COc1ccc(CCNc2cc(-c3cccc(C(=O)O)c3)nc(OC)n2)cc1

HCID11603301

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CCNc2cc(-c3cccc(C(=O)NS(C)(=O)=O)c3)nc(OC)n2)cc1

HCID11712215

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b42473cdc7f24939a949470fc4380a66
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

[CH3:1][O:2][c:3]1[n:4][c:5]([NH:18][CH2:19][CH2:20][c:21]2[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][cH:26]2)[cH:6][c:7](-[c:9]2[cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15][cH:16][cH:17]2)[n:8]1.[CH3:29][S:30](=[O:31])(=[O:32])[NH2:33].[CH3:35][N:36]([CH3:37])[CH2:38][CH2:39][CH2:40][N:41]=[C:42]=[N:43][CH2:44][CH3:45].[CH3:59][N:60]([CH3:61])[c:62]1[cH:63][cH:64][n:65][cH:66][cH:67]1.[Cl:68][CH2:69][Cl:70].[ClH:34].[OH2:71].[OH:46][C:47]([CH2:48][C:49]([C:50](=[O:51])[OH:52])([CH2:53][C:54](=[O:55])[OH:56])[OH:57])=[O:58]>>[CH3:1][O:2][c:3]1[n:4][c:5]([NH:18][CH2:19][CH2:20][c:21]2[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][cH:26]2)[cH:6][c:7](-[c:9]2[cH:10][c:11]([C:12](=[O:13])[NH:33][S:30]([CH3:29])(=[O:31])=[O:32])[cH:15][cH:16][cH:17]2)[n:8]1