HRID171184

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID15965523

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

C7H8ClN3O3

HCID17750358

tert-Butyl 4-(piperazin-1-yl)piperidine-1-carboxylate

C14H27N3O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(N2CCN(CC3(C)Cn4cc([N+](=O)[O-])nc4O3)CC2)CC1

HCID178452057

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f50d7ab959849aaac4cdc366f972b16
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

[CH3:34][CH2:35][OH:36].[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[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.[H-:37].[N:15]1([CH:21]2[CH2:22][CH2:23][N:24]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:25][CH2:26]2)[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]1.[Na+:38].[OH2:44]>>[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:18]1[CH2:17][CH2:16][N:15]([CH:21]3[CH2:22][CH2:23][N:24]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:25][CH2:26]3)[CH2:20][CH2:19]1)([CH3:14])[O:12]2