HRID1205778

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID971

Oxalic acid

C2H2O4

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID67867

alpha,alpha,alpha,3-Tetrafluorotoluene

C7H4F4

HCID166653

Hydride

H-

HCID14852479

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

生成物

HCID971

Oxalic acid

C2H2O4

结构：CC1C(Oc2cccc(C(F)(F)F)c2)CN1C(c1ccccc1)c1ccccc1

HCID19875813

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9953ff00f5444a5b233418e635953f6
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

[C:3]([C:4](=[O:5])[OH:6])(=[O:7])[OH:8].[F:30][c:31]1[cH:32][c:33]([C:37]([F:38])([F:39])[F:40])[cH:34][cH:35][cH:36]1.[H-:1].[H:28][H:29].[Na+:2].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[OH2:46].[c:9]1([CH:15]([N:16]2[CH:17]([CH3:21])[CH:18]([OH:20])[CH2:19]2)[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:10][cH:11][cH:12][cH:13][cH:14]1>>[C:3]([C:4](=[O:5])[OH:6])(=[O:7])[OH:8].[c:9]1([CH:15]([N:16]2[CH:17]([CH3:21])[CH:18]([O:20][c:31]3[cH:32][c:33]([C:37]([F:38])([F:39])[F:40])[cH:34][cH:35][cH:36]3)[CH2:19]2)[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:10][cH:11][cH:12][cH:13][cH:14]1