HRID1215720

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

HCID166653

Hydride

H-

结构：COC(=O)C(C)(C)c1ccc(Nc2cc(-c3cccc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3CO)cn(C)c2=O)nc1

HCID59473826

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(-c2cccc(-n3ncc4cc(C(C)(C)C)cc(F)c4c3=O)c2CO)cc(Nc2ccc(C(C)(C)C(=O)O)cn2)c1=O

HCID46908804

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7272000774f04a63a714a177419076cd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:1][O:2][C:3]([C:4]([CH3:5])([CH3:6])[c:7]1[cH:8][n:9][c:10]([NH:13][c:14]2[c:15](=[O:45])[n:16]([CH3:44])[cH:17][c:18](-[c:20]3[c:21]([CH2:42][OH:43])[c:22](-[n:26]4[c:27](=[O:41])[c:28]5[c:29]([F:40])[cH:30][c:31]([C:36]([CH3:37])([CH3:38])[CH3:39])[cH:32][c:33]5[cH:34][n:35]4)[cH:23][cH:24][cH:25]3)[cH:19]2)[cH:11][cH:12]1)=[O:46].[H-:47].[Li+:49].[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[OH-:48].[OH2:56]>>[O:2]=[C:3]([C:4]([CH3:5])([CH3:6])[c:7]1[cH:8][n:9][c:10]([NH:13][c:14]2[c:15](=[O:45])[n:16]([CH3:44])[cH:17][c:18](-[c:20]3[c:21]([CH2:42][OH:43])[c:22](-[n:26]4[c:27](=[O:41])[c:28]5[c:29]([F:40])[cH:30][c:31]([C:36]([CH3:37])([CH3:38])[CH3:39])[cH:32][c:33]5[cH:34][n:35]4)[cH:23][cH:24][cH:25]3)[cH:19]2)[cH:11][cH:12]1)[OH:46]