HRID1226442

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID119440

1-Hydroxyethyl radical

C2H5O-

HCID43560398

未命名化合物

反应SMILES：Cc1nc2sccn2c(=O)c1-c1ccc(C(F)(F)F)cc1

HCID66752802

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cc(C=Cc2nc3sccn3c(=O)c2-c2ccc(C(F)(F)F)cc2)ccc1OCC1CC1

HCID66752932

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-82144a6c744a419f843bba1640bded4d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

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