HRID188485

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID19921666

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)Nc1ccc2[nH]cc(CCCOS(C)(=O)=O)c2c1

HCID19921625

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08799dd16eb14fcdae9f6af907dd0076
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

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