HRID696320

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID3280088

未命名化合物

结构：CC(C)c1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1C=CC=O

HCID54407720

未命名化合物

PRODUCTS

生成物

结构：CC(=O)CC(O)C=Cn1c(C(C)C)nc(-c2ccc(F)cc2)c1-c1ccc(F)cc1

HCID53720471

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bbc950093df44e91a4baae112b589c4d
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

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