HRID119063

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID784

Hydrogen peroxide

H2O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID7505

Benzonitrile

C7H5N

反应SMILES：CCOCc1nc2cnc3cc(N4CCOCC4)ccc3c2n1CCCOC(C)C

HCID67382101

未命名化合物

PRODUCTS

产物

反应SMILES：CCOCc1nc2c[n+]([O-])c3cc(N4CCOCC4)ccc3c2n1CCCOC(C)C

HCID67382408

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-760e8216bf234069a44d9f3d0cd41001
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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