HRID1130844

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CCOC(=O)c1ccc2cc(-c3ccc(OCc4c(CS(=O)c5c(Cl)cccc5Cl)noc4C(C)C)cc3)ccc2n1

HCID59321539

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1onc(CS(=O)c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3nc(C(=O)O)ccc3c2)cc1

HCID59321520

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84d9ef30f5f84398b2bb0431f63aadfd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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