HRID685725

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

结构：COC(=O)c1ccc(NC(=O)C(C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)nc1

HCID68645264

未命名化合物

PRODUCTS

生成物

结构：O=C(O)c1ccc(NC(=O)C(C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)nc1

HCID44198732

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62a72ad8ad8b4259a124682029b76433
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:1][O:2][C:3]([c:4]1[cH:5][n:6][c:7]([NH:10][C:11]([CH:12]([CH:13]2[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]2)[n:19]2[c:20](-[c:30]3[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]3)[n:21][c:22]3[c:23]2[cH:24][c:25]([F:29])[c:26]([F:28])[cH:27]3)=[O:37])[cH:8][cH:9]1)=[O:38].[Li+:41].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[OH-:40].[OH2:39].[OH2:42]>>[O:2]=[C:3]([c:4]1[cH:5][n:6][c:7]([NH:10][C:11]([CH:12]([CH:13]2[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]2)[n:19]2[c:20](-[c:30]3[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]3)[n:21][c:22]3[c:23]2[cH:24][c:25]([F:29])[c:26]([F:28])[cH:27]3)=[O:37])[cH:8][cH:9]1)[OH:38]