HRID674776

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID2724942

未命名化合物

HCID2756050

tert-Butyl hydrogen (4-aminocyclohexyl)carbonimidate

C11H22N2O2

HCID22620077

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2cccnc2)cc1CNC1CCC(NC(=O)OC(C)(C)C)CC1

HCID59766919

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bbb12cee773e4190af56318b5c1e4e40
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:17]([CH3:18])([CH3:19])([CH3:20])[O:21][C:22]([NH:23][CH:24]1[CH2:25][CH2:26][CH:27]([NH2:30])[CH2:28][CH2:29]1)=[O:31].[C:36]([O:37][BH-:38]([O:39][C:40](=[O:41])[CH3:42])[O:43][C:44](=[O:45])[CH3:46])(=[O:47])[CH3:48].[CH3:1][O:2][c:3]1[c:4]([CH:5]=[O:6])[cH:7][c:8](-[c:11]2[cH:12][n:13][cH:14][cH:15][cH:16]2)[cH:9][cH:10]1.[CH3:32][C:33](=[O:34])[OH:35].[CH3:50][OH:51].[Na+:49]>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:30][CH:27]2[CH2:26][CH2:25][CH:24]([NH:23][C:22]([O:21][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:31])[CH2:29][CH2:28]2)[cH:7][c:8](-[c:11]2[cH:12][n:13][cH:14][cH:15][cH:16]2)[cH:9][cH:10]1