HRID299268

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID93865

2-(tert-Butoxycarbonyloximino)-2-phenylacetonitrile

C13H14N2O3

HCID54376671

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCON=C(C(=O)O)c1csc(NC=O)n1

HCID54082885

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ff3ce5f9e054d9294f915a3573f27b1
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

[C:18](=[O:19])([OH:20])[O-:21].[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[CH:1](=[O:2])[NH:3][c:4]1[s:5][cH:6][c:7]([C:9]([C:10](=[O:11])[OH:12])=[N:13][O:14][CH2:15][CH2:16][NH2:17])[n:8]1.[ClH:23].[Na+:22].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH2:42].[c:24]1([C:25](=[N:26][O:34][C:35](=[O:27])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[C:28]#[N:29])[cH:30][cH:31][cH:32][cH:33][cH:36]1>>[CH:1](=[O:2])[NH:3][c:4]1[s:5][cH:6][c:7]([C:9]([C:10](=[O:11])[OH:12])=[N:13][O:14][CH2:15][CH2:16][NH:17][C:35](=[O:34])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[n:8]1