HRID195409

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID15292268

未命名化合物

HCID178493561

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Sc1nc(OC)cc(OC)n1)C(C)(OCc1ccccc1)c1ccccc1

HCID15292275

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eeea8a356c154b94bd5e698c8e9f0767
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:46](=[O:47])([OH:48])[O-:49].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH:10]([C:11](=[O:12])[O:13][CH3:14])[OH:15])([CH3:16])[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:30][S:31](=[O:32])(=[O:33])[Cl:34].[CH3:35][O:36][c:37]1[n:38][c:39]([SH:45])[n:40][c:41]([O:43][CH3:44])[cH:42]1.[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[Cl:51][CH2:52][Cl:53].[Na+:50].[OH2:59]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH:10]([C:11](=[O:12])[O:13][CH3:14])[S:45][c:39]1[n:38][c:37]([O:36][CH3:35])[cH:42][c:41]([O:43][CH3:44])[n:40]1)([CH3:16])[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1