HRID1560644

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11637455

4-(4-trifluoromethylbenzoyl)piperidine

C13H14F3NO

HCID15965523

2-Chloro-1-(2-methyloxiran-2-ylmethyl)-4-nitroimidazole

C7H8ClN3O3

PRODUCTS

生成物

结构：CC1(CN2CCC(C(=O)c3ccc(C(F)(F)F)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1

HCID69483093

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e933de2ad29444b4b707f30c3133a954
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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