HRID116830

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID104727

Aluminum Cation

Al+3

HCID166653

Hydride

H-

4 次

结构：CCOC(=O)c1ccc(Nc2ncc(F)c(Nc3ccccc3C(=O)NC(C)C)n2)cc1

HCID57974136

未命名化合物

PRODUCTS

生成物

结构：CC(C)NC(=O)c1ccccc1Nc1nc(Nc2ccc(CO)cc2)ncc1F

HCID57974211

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db455361f2b14b50b59a4a4a50c4cf20
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

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