HRID90878

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric Acid

C6H8O7

HCID313

Hydrochloric Acid

ClH

2 次

HCID795

Imidazole

C3H4N2

HCID8028

Tetrahydrofuran

C4H8O

HCID68263

1,1'-Carbonyldiimidazole

C7H6N4O

HCID4351123

未命名化合物

HCID15517687

未命名化合物

PRODUCTS

产物

HCID18337288

Tert-butyl 2-[[2-cyclohexylethyl(2-hydroxyethyl)carbamoyl]amino]propanoate

C18H34N2O4

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-1f9ac9eb169f4a14abf7a0f1fddf58a8
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:12](=[O:13])([n:14]1[cH:15][cH:16][n:17][cH:18]1)[n:19]1[cH:20][cH:21][n:22][cH:23]1.[C:2]([CH3:3])([CH3:4])([CH3:5])[O:6][C:7]([CH:8]([NH2:9])[CH3:10])=[O:11].[ClH:1].[ClH:29].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1.[OH:30][CH2:31][CH2:32][NH:33][CH2:34][CH2:35][CH:36]1[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]1.[OH:42][C:43]([CH2:44][C:45]([C:46](=[O:47])[OH:48])([CH2:49][C:50](=[O:51])[OH:52])[OH:53])=[O:54].[nH:24]1[cH:25][cH:26][n:27][cH:28]1>>[C:2]([CH3:3])([CH3:4])([CH3:5])[O:6][C:7]([CH:8]([NH:9][C:12](=[O:13])[N:33]([CH2:32][CH2:31][OH:30])[CH2:34][CH2:35][CH:36]1[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]1)[CH3:10])=[O:11]