HRID183070

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID12384726

(2-Methyl-1,3-dioxolan-2-yl)methanol

C5H10O3

PRODUCTS

生成物

HCID5360545

Sodium

结构：Cc1c(OCC2(C)OCCO2)ccnc1CS(=O)c1nc2ccccc2[nH]1

HCID59792540

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f00c4a88794546e1b34eab5f86f7bec2
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

[CH2:2]([C:3]1([CH2:4][CH2:15][O:16][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:5][CH2:6][C:7]2([O:8][CH2:9][CH2:10][O:11]2)[CH2:12][O:13]1)[CH3:14].[CH3:47][C:48]1([CH2:53][OH:54])[O:49][CH2:50][CH2:51][O:52]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]>>[CH2:15]([O:16][c:17]1[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)[C:48]1([CH3:47])[O:49][CH2:50][CH2:51][O:52]1.[Na:1]