HRID2122803

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7858

Allyl alcohol

C3H6O

HCID8471

Triethylamine

C6H15N

HCID105144

Palladium(2+)

Pd+2

结构：Cc1c(-c2ccccc2)c(OS(=O)(=O)C(F)(F)F)c2oc(C3CC3)nc2c1C#N

HCID86630884

未命名化合物

PRODUCTS

生成物

结构：C=C(CO)c1c(-c2ccccc2)c(C)c(C#N)c2nc(C3CC3)oc12

HCID68584699

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-005ac22f50664d7096068b77b5d42c73
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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