HRID2316249

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

结构：COC(=O)C1(NC(=O)c2ccc(OC)c(-c3c(F)cc(OC)c(Cl)c3F)c2)CCC(C)CC1

HCID86672571

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)NC2(C(=O)O)CCC(C)CC2)cc1-c1c(F)cc(OC)c(Cl)c1F

HCID86672572

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8642b4a1d6f4a49a357373dedc141fa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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