HRID1548915

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1118

Sulfuric acid

H2O4S

HCID8471

Triethylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID10290847

2-(4,5-Diamino-1H-pyrazol-1-yl)ethan-1-ol

C5H10N4O

HCID21904505

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCC(O)C(=O)Nc1cnn(CCO)c1N

HCID178453539

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b0d819580cd4eb191d3ae929fdb6aca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:16]([CH3:17])([CH3:18])([CH3:19])[O:20][C:21](=[O:22])[NH:23][CH2:24][CH2:25][CH:26]([C:27](=[O:28])[OH:29])[OH:30].[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:39][N:40]([CH3:41])[CH2:42][CH2:43][CH2:44][N:45]=[C:46]=[N:47][CH2:48][CH3:49].[ClH:38].[NH2:6][c:7]1[cH:8][n:9][n:10]([CH2:13][CH2:14][OH:15])[c:11]1[NH2:12].[OH2:50].[S:1]([OH:2])([OH:3])(=[O:4])=[O:5]>>[NH:6]([c:7]1[cH:8][n:9][n:10]([CH2:13][CH2:14][OH:15])[c:11]1[NH2:12])[C:27]([CH:26]([CH2:25][CH2:24][NH:23][C:21]([O:20][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:22])[OH:30])=[O:28]