HRID154852

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

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID166653

Hydride

H-

结构：CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1

HCID24762903

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1[nH]c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2c1S(C)(=O)=O

HCID59129437

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba8b02cb0e5745c2b8088c706a691684
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

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