HRID204266

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID675

5,6-Dimethylbenzimidazole

C9H10N2

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID27099

Copper(2+)

Cu+2

结构：Cc1ccc(S(=O)(=O)NC(=O)OCCc2ccc(B(O)O)cc2)cc1

HCID21876530

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)NC(=O)OCCc2ccc(-n3cnc4cc(C)c(C)cc43)cc2)cc1

HCID21300417

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe92c66c876d4d31aad251360024e2ca
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

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