HRID99264

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7295

Methyl chloroacetate

C3H5ClO2

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

结构：COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2cccc(O)c2)nc1OC

HCID9848584

未命名化合物

PRODUCTS

生成物

结构：COC(=O)COc1cccc(-c2nc(NS(=O)(=O)c3ccc(C)cn3)c(Oc3ccccc3OC)c(OC)n2)c1

HCID53666334

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-673863a9aec246859cc57faf1a8f3d2c
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

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