HRID98372

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6386

tert-Butyl alcohol

C4H10O

HCID8857

Ethyl acetate

C4H8O2

HCID30318

Osmium tetroxide

O4Os

HCID82029

4-Methylmorpholine 4-oxide

C5H11NO2

结构：C=CCn1c(=O)c(C#N)c(-c2cccc(F)c2)c2cc(OC)ccc21

HCID11739127

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(c1)c(-c1cccc(F)c1)c(C#N)c(=O)n2CC(O)CO

HCID11222393

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0ed04aaffc64fa7a81eac396524922a
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

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