HRID194614

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID79244

1H-Isoindole-1,3(2H)-dione, 2-(bromomethyl)-

C9H6BrNO2

HCID166653

Hydride

H-

结构：CCOC(=O)C(C(=O)OCC)c1ncc(C(F)(F)F)cc1Cl

HCID2774041

Diethyl [3-chloro-5-(trifluoromethyl)pyridin-2-yl]propanedioate

C13H13ClF3NO4

PRODUCTS

生成物

结构：CCOC(=O)C(CN1C(=O)c2ccccc2C1=O)(C(=O)OCC)c1ncc(C(F)(F)F)cc1Cl

HCID22637220

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f1c48c827e14a29a0a8efae58626303
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:25][CH2:26][N:27]1[C:28](=[O:37])[c:29]2[c:30]([cH:33][cH:34][cH:35][cH:36]2)[C:31]1=[O:32].[CH3:38][C:39](=[O:40])[OH:41].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[Cl:3][c:4]1[c:5]([CH:14]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[C:20](=[O:21])[O:22][CH2:23][CH3:24])[n:6][cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1.[H-:1].[Na+:2].[OH2:47]>>[Cl:3][c:4]1[c:5]([C:14]([C:15](=[O:16])[O:17][CH2:18][CH3:19])([C:20](=[O:21])[O:22][CH2:23][CH3:24])[CH2:26][N:27]2[C:28](=[O:37])[c:29]3[c:30]([cH:33][cH:34][cH:35][cH:36]3)[C:31]2=[O:32])[n:6][cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1