HRID92183

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6395

Methanesulfonic acid

CH4O3S

HCID31275

1,4-Dioxane

C4H8O2

结构：O=C(O)CC(c1ccccc1)c1c[nH]c2cc(OCCCNc3ccccn3)ccc12

HCID9931669

未命名化合物

PRODUCTS

生成物

HCID6395

Methanesulfonic acid

CH4O3S

HCID9931669

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40185bd8c8f84ebc82be9acf08c7933f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:32][S:33]([OH:34])(=[O:35])=[O:36].[O:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1.[OH2:43].[c:1]1([CH:7]([CH2:8][C:9](=[O:10])[OH:11])[c:12]2[cH:13][nH:14][c:15]3[cH:16][c:17]([O:21][CH2:22][CH2:23][CH2:24][NH:25][c:26]4[n:27][cH:28][cH:29][cH:30][cH:31]4)[cH:18][cH:19][c:20]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[CH3:32][S:33](=[O:34])(=[O:35])[OH:36].[c:1]1([CH:7]([CH2:8][C:9](=[O:10])[OH:11])[c:12]2[cH:13][nH:14][c:15]3[cH:16][c:17]([O:21][CH2:22][CH2:23][CH2:24][NH:25][c:26]4[n:27][cH:28][cH:29][cH:30][cH:31]4)[cH:18][cH:19][c:20]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1