HRID135896

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID105055

Ytterbium(3+)

Yb+3

HCID520769

2-(Trifluoromethyl)oxirane

C3H3F3O

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

3 次

结构：CC(C)(C)Oc1cccc(CNc2cccc(Oc3ccccc3)c2)c1

HCID10936948

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)Oc1cccc(CN(CC(O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1

HCID11733217

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0ef56a470ae4603b6c0c4069f53a2d2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:59][C:60]#[N:61].[F:52][C:53]([CH:54]1[CH2:55][O:56]1)([F:57])[F:58].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][c:10]([NH:14][CH2:15][c:16]2[cH:17][c:18]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[cH:19][cH:20][cH:21]2)[cH:11][cH:12][cH:13]1.[S:27]([O-:28])([C:29]([F:30])([F:31])[F:32])(=[O:33])=[O:34].[S:36]([O-:37])([C:38]([F:39])([F:40])[F:41])(=[O:42])=[O:43].[S:44]([O-:45])([C:46]([F:47])([F:48])[F:49])(=[O:50])=[O:51].[Yb+3:35]>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][c:10]([N:14]([CH2:15][c:16]2[cH:17][c:18]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[cH:19][cH:20][cH:21]2)[CH2:55][CH:54]([C:53]([F:52])([F:57])[F:58])[OH:56])[cH:11][cH:12][cH:13]1