HRID2129019

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID31275

1,4-Dioxane

C4H8O2

结构：CNC(=O)c1c(-c2ccc(F)cc2)nn2ncc(-c3cc(C(=O)OC)c(OC)cc3C)cc12

HCID66763663

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c(-c2ccc(F)cc2)nn2ncc(-c3cc(C(=O)O)c(OC)cc3C)cc12

HCID66763514

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50e8772df22c448d84c44d1a2f497eac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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