HRID1221789

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

HCID76187

Benzenesulfonyl chloride, 2-chloro-

C6H4Cl2O2S

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：COc1cc2c(ccn2S(=O)(=O)c2ccccc2Cl)c2c1OCCN(C(=O)OC(C)(C)C)C2C

HCID67242842

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d9589fb68dd4d3d8e76492ae22e0d01
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

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.[Cl:27][c:28]1[c:29]([S:34](=[O:35])(=[O:36])[Cl:37])[cH:30][cH:31][cH:32][cH:33]1.[H-:25].[Na+:26].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:38]>>[CH3:1][O:2][c:3]1[c:4]2[c:5]([c:6]3[cH:7][cH:8][n:9]([S:34]([c:29]4[c:28]([Cl:27])[cH:33][cH:32][cH:31][cH:30]4)(=[O:35])=[O:36])[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