HRID2133335

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID2773252

4-(Trifluoromethyl)-alpha-bromo-acetanilide

C9H7BrF3NO

结构：CC(C)(C)OC(=O)N1CCN(CC2(C)Cn3cc([N+](=O)[O-])nc3O2)CC1

HCID23081080

未命名化合物

PRODUCTS

生成物

结构：CC1(CN2CCN(CC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1

HCID69481444

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44fae9eae7604c1cb4c5459cf85ce786
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:41][CH2:42][C:43](=[O:44])[NH:45][c:46]1[cH:47][cH:48][c:49]([C:52]([F:53])([F:54])[F:55])[cH:50][cH:51]1.[C:1]([O:2][C:6](=[O:3])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][C:15]2([CH3:26])[CH2:16][n:17]3[c:18]([n:20][c:21]([N+:23](=[O:24])[O-:25])[cH:22]3)[O:19]2)[CH2:12][CH2:13]1)([CH3:4])([CH3:5])[CH3:7].[C:56](=[O:57])([O-:58])[O-:59].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[I-:63].[K+:60].[K+:61].[Na+:62].[OH2:64].[OH:27][C:28]([C:29]([F:30])([F:31])[F:32])=[O:33]>>[CH2:6]([N:8]1[CH2:9][CH2:10][N:11]([CH2:14][C:15]2([CH3:26])[CH2:16][n:17]3[c:18]([n:20][c:21]([N+:23](=[O:24])[O-:25])[cH:22]3)[O:19]2)[CH2:12][CH2:13]1)[C:43](=[O:44])[NH:45][c:46]1[cH:47][cH:48][c:49]([C:52]([F:53])([F:54])[F:55])[cH:50][cH:51]1