HRID159007

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID105055

Ytterbium(3+)

Yb+3

HCID520769

2-(Trifluoromethyl)oxirane

C3H3F3O

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

3 次

结构：FC(F)C(F)(F)Oc1cccc(CNc2cccc(Oc3ccccc3)c2)c1

HCID10548476

未命名化合物

PRODUCTS

生成物

结构：OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F

HCID9870704

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f5417f45fefa4f67a34071b2782ba9a5
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

[CH3:61][C:62]#[N:63].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[F:29][C:30]([CH:31]1[CH2:32][O:33]1)([F:34])[F:35].[F:36][C:37]([F:38])([F:39])[S:40]([O-:41])(=[O:42])=[O:43].[F:45][C:46]([F:47])([F:48])[S:49]([O-:50])(=[O:51])=[O:52].[F:53][C:54]([F:55])([F:56])[S:57]([O-:58])(=[O:59])=[O:60].[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]([CH:24]([F:25])[F:26])([F:27])[F:28])[cH:19][cH:20][cH:21]2)[cH:11][cH:12][cH:13]1.[OH2:64].[Yb+3:44]>>[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]([CH:24]([F:25])[F:26])([F:27])[F:28])[cH:19][cH:20][cH:21]2)[CH2:32][CH:31]([C:30]([F:29])([F:34])[F:35])[OH:33])[cH:11][cH:12][cH:13]1