HRID2157189

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID971

Oxalic acid

C2H2O4

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID19615

未命名化合物

HCID71081

Oxalic acid, ion(2-)

C2O4-2

HCID166653

Hydride

H-

HCID14516941

未命名化合物

PRODUCTS

生成物

结构：CN1CCc2c(c3cc(Cl)ccc3n2CC(O)(c2ccc(F)cc2)C(F)(F)F)C1

HCID57876079

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91bcf5182bc745cf89e378a3a5542b8f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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