HRID821904

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

结构：CC(C)(C)OC(=O)N1CCC(CO)(c2ccc(F)cc2)CC1

HCID19084679

未命名化合物

HCID22324272

1-Bromo-3-(bromomethyl)-5-(trifluoromethyl)benzene

C8H5Br2F3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(COCc2cc(Br)cc(C(F)(F)F)c2)(c2ccc(F)cc2)CC1

HCID58993524

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e69ba2f60f1b445ea564d8c144a359c6
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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