HRID173431

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8083

Morpholine

C4H9NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl Acetate

C4H8O2

HCID166653

Hydride

H-

HCID11601369

3-(bromomethyl)-5-(trifluoromethyl)benzonitrile

C9H5BrF3N

HCID66602862

未命名化合物

PRODUCTS

产物

HCID86626916

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-aefcd1bf213e4eeabbbac73bffac82d2
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:1][c:2]1[cH:3][cH:4][c:5]([NH:8][CH2:9][c:10]2[c:11](-[c:20]3[c:21]([O:29][CH3:30])[cH:22][cH:23][c:24]([CH:26]([CH3:27])[CH3:28])[cH:25]3)[cH:12][cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]2)[n:6][cH:7]1.[Br:33][CH2:34][c:35]1[cH:36][c:37]([C:38]#[N:39])[cH:40][c:41]([C:43]([F:44])([F:45])[F:46])[cH:42]1.[CH2:47]1[NH:48][CH2:49][CH2:50][O:51][CH2:52]1.[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[CH3:70][CH2:71][N:72]([CH2:73][CH3:74])[CH2:75][CH3:76].[H-:31].[Na+:32].[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1.[OH2:63]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([N:8]([CH2:9][c:10]2[c:11](-[c:20]3[c:21]([O:29][CH3:30])[cH:22][cH:23][c:24]([CH:26]([CH3:27])[CH3:28])[cH:25]3)[cH:12][cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]2)[CH2:34][c:35]2[cH:36][c:37]([C:38]#[N:39])[cH:40][c:41]([C:43]([F:44])([F:45])[F:46])[cH:42]2)[n:6][cH:7]1