HRID2130748

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

HCID8857

Ethyl acetate

C4H8O2

HCID122573

3,5-Bis(trifluoromethyl)benzyl bromide

C9H5BrF6

HCID166653

Hydride

H-

结构：COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1C1OC(=O)NC1C

HCID66716899

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1C1OC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C

HCID72987447

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a2abebf75fc84c7bb134945a1f7d1bb0
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

[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([O:27][CH3:28])[c:8](-[c:10]2[c:11]([CH:20]3[CH:21]([CH3:26])[NH:22][C:23](=[O:25])[O:24]3)[cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[cH:9]1.[F:31][C:32]([c:33]1[cH:34][c:35]([CH2:36][Br:37])[cH:38][c:39]([C:41]([F:42])([F:43])[F:44])[cH:40]1)([F:45])[F:46].[H-:29].[Na+:30].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:58]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([O:27][CH3:28])[c:8](-[c:10]2[c:11]([CH:20]3[CH:21]([CH3:26])[N:22]([CH2:36][c:35]4[cH:34][c:33]([C:32]([F:31])([F:45])[F:46])[cH:40][c:39]([C:41]([F:42])([F:43])[F:44])[cH:38]4)[C:23](=[O:25])[O:24]3)[cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[cH:9]1