HRID1149707

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID6409

2,2,2-Trifluoroethanol

C2H3F3O

反应SMILES：CC1(C)C(C=C(F)C(=O)O)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1

HCID178425344

未命名化合物

PRODUCTS

产物

反应SMILES：CC1(C)C(C=C(F)C(=O)OCC(F)(F)F)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1

HCID178425345

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c879f5805c144e72b0bd25398e9f8d5e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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