HRID1142578

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID954261

Ethyl 4-(bromomethyl)benzoate

C10H11BrO2

结构：Cc1cc(C(O)(C(C)c2ccc(O)cc2Cl)C(F)(F)F)ccn1

HCID25254146

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(COc2ccc(C(C)C(O)(c3ccnc(C)c3)C(F)(F)F)c(Cl)c2)cc1

HCID46940643

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a00790b4c46a49bd927c5540183a9c42
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

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