HRID289471

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1049

Pyridine

C5H5N

HCID6212

Chloroform

CHCl3

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：O=c1ccn(C2CC(O)C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]1

HCID341822

MLS003171338

C28H26N2O5

PRODUCTS

生成物

结构：CS(=O)(=O)OC1CC(n2ccc(=O)[nH]c2=O)OC1COC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID342297

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d3f6a3b8a73425db2be18cd667baec8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[O:20][CH2:21][CH:22]1[CH:23]([OH:35])[CH2:24][CH:25]([n:27]2[c:28](=[O:29])[nH:30][c:31](=[O:32])[cH:33][cH:34]2)[O:26]1.[CH3:36][S:37]([Cl:38])(=[O:39])=[O:40].[CH3:45][CH2:46][OH:47].[Cl:41][CH:42]([Cl:43])[Cl:44].[cH:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[O:20][CH2:21][CH:22]1[CH:23]([O:35][S:37]([CH3:36])(=[O:39])=[O:40])[CH2:24][CH:25]([n:27]2[c:28](=[O:29])[nH:30][c:31](=[O:32])[cH:33][cH:34]2)[O:26]1