HRID112051

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-

HCID8857

Ethyl acetate

C4H8O2

结构：COC(=O)Cc1ccc(Oc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c(CNS(=O)(=O)c2ccc(F)cc2)c1

HCID68463196

未命名化合物

PRODUCTS

生成物

结构：O=C(O)Cc1ccc(Oc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c(CNS(=O)(=O)c2ccc(F)cc2)c1

HCID24743756

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-755a2db76ce74e6da1a538d1f6354238
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

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