HRID149443

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID84580

Ethyl 5-bromovalerate

C7H13BrO2

HCID166653

Hydride

H-

结构：CCOC(=O)Nc1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(N2CCOCC2)cn1

HCID86626804

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCCN(C(=O)OCC)c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(N2CCOCC2)cn1

HCID86626805

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a96f3b4f3a3f4bf8921baf3b90e0e0a9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:48][CH2:49][CH2:50][CH2:51][CH2:52][C:53](=[O:54])[O:55][CH2:56][CH3:57].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([N:14]3[CH2:15][CH2:16][O:17][CH2:18][CH2:19]3)[cH:12][n:13]2)[CH2:20][c:21]2[c:22]([NH:31][C:32]([O:33][CH2:34][CH3:35])=[O:36])[cH:23][cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]2)[cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[cH:39]1)([F:44])[F:45].[H-:46].[Na+:47]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([N:14]3[CH2:15][CH2:16][O:17][CH2:18][CH2:19]3)[cH:12][n:13]2)[CH2:20][c:21]2[c:22]([N:31]([C:32]([O:33][CH2:34][CH3:35])=[O:36])[CH2:49][CH2:50][CH2:51][CH2:52][C:53](=[O:54])[O:55][CH2:56][CH3:57])[cH:23][cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]2)[cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[cH:39]1)([F:44])[F:45]