HRID1559542

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21902

(2,2-Diethyl-1,3-dioxolan-4-yl)methanol

C8H16O3

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

HCID5360545

Sodium

结构：CCC1(CCOc2ccnc(CS(=O)c3nc4ccccc4[nH]3)c2C)OCC2(CO1)OCCO2

HCID12003124

未命名化合物

PRODUCTS

生成物

HCID5360545

Sodium

结构：CCC1(CC)OCC(COc2ccnc(CS(=O)c3nc4ccccc4[nH]3)c2C)O1

HCID59792398

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08c6a85dc32f4420aeef189ca5fd8482
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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