HRID2149301

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

HCID6328

Methyl iodide

CH3I

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

结构：COc1ccc(CN2C(=O)NC(C[N+](=O)[O-])(C(F)(F)F)c3cc(Br)ccc32)cc1

HCID68491179

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2C(=O)N(C)C(C[N+](=O)[O-])(C(F)(F)F)c3cc(Br)ccc32)cc1

HCID68489142

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a272a116beba40cb96267b5323c092cb
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

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