HRID306136

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8078

Cyclohexane

C6H12

HCID8857

Ethyl acetate

C4H8O2

结构：CCCCCC(CC)Cc1nc(C)c2c(=O)[nH]c(-c3cc([N+](=O)[O-])ccc3OCC)nn12

HCID136336327

未命名化合物

PRODUCTS

生成物

结构：CCCCCC(CC)Cc1nc(C)c2c(=O)[nH]c(-c3cc(N)ccc3OCC)nn12

HCID136336326

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb77b03643dd43d4bf70ac1af660fb35
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][c:4]1[c:5](-[c:13]2[n:14][n:15]3[c:16]([c:17](=[O:19])[nH:18]2)[c:20]([CH3:32])[n:21][c:22]3[CH2:23][CH:24]([CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])[CH2:30][CH3:31])[cH:6][c:7]([N+:10]([O-:11])=[O:12])[cH:8][cH:9]1.[CH2:33]1[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]1.[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[CH3:45][CH2:46][OH:47]>>[CH2:1]([CH3:2])[O:3][c:4]1[c:5](-[c:13]2[n:14][n:15]3[c:16]([c:17](=[O:19])[nH:18]2)[c:20]([CH3:32])[n:21][c:22]3[CH2:23][CH:24]([CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])[CH2:30][CH3:31])[cH:6][c:7]([NH2:10])[cH:8][cH:9]1