HRID2330265

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：Cc1c(OCC2OCC(C)(C)CO2)ccnc1CSc1nc2ccccc2[nH]1

HCID59792419

未命名化合物

PRODUCTS

生成物

结构：Cc1c(OCC2OCC(C)(C)CO2)ccnc1CS(=O)c1nc2ccccc2[nH]1

HCID11948185

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8936ca1aef2e4e3698f9f6649d4fcea3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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