HRID136816

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID145149

6-Methoxy-m-toluenesulfonyl chloride

C8H9ClO3S

HCID166653

Hydride

H-

结构：COc1cc2[nH]ccc2c2c1OCCN(C(=O)OC(C)(C)C)C2C

HCID69096461

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C)cc1S(=O)(=O)n1ccc2c3c(c(OC)cc21)OCCN(C(=O)OC(C)(C)C)C3C

HCID67242131

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d6caa63432a490f960f1f2ba4865211
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][O:2][c:3]1[c:4]2[c:5]([c:6]3[cH:7][cH:8][nH:9][c:10]3[cH:11]1)[CH:12]([CH3:24])[N:13]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:14][CH2:15][O:16]2.[CH3:27][O:28][c:29]1[c:30]([S:36](=[O:37])(=[O:38])[Cl:39])[cH:31][c:32]([CH3:35])[cH:33][cH:34]1.[H-:25].[Na+:26].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[OH2:40]>>[CH3:1][O:2][c:3]1[c:4]2[c:5]([c:6]3[cH:7][cH:8][n:9]([S:36]([c:30]4[c:29]([O:28][CH3:27])[cH:34][cH:33][c:32]([CH3:35])[cH:31]4)(=[O:37])=[O:38])[c:10]3[cH:11]1)[CH:12]([CH3:24])[N:13]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:14][CH2:15][O:16]2