HRID309712

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID70091

Hydrazinecarboxylic acid, 1,1-dimethylethyl ester

C5H12N2O2

HCID86650044

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1nc(CCc2ccc(CCSC(=O)NNC(=O)OC(C)(C)C)cc2)cs1

HCID86650045

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-141e50ff946a43939ec8bc957fd836da
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:21](=[O:22])([n:23]1[cH:24][cH:25][n:26][cH:27]1)[n:28]1[cH:29][cH:30][n:31][cH:32]1.[C:33]([NH:34][NH2:35])(=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[ClH:42].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH2:54].[SH:1][CH2:2][CH2:3][c:4]1[cH:5][cH:6][c:7]([CH2:10][CH2:11][c:12]2[n:13][c:14]([NH:17][C:18]([CH3:19])=[O:20])[s:15][cH:16]2)[cH:8][cH:9]1>>[S:1]([CH2:2][CH2:3][c:4]1[cH:5][cH:6][c:7]([CH2:10][CH2:11][c:12]2[n:13][c:14]([NH:17][C:18]([CH3:19])=[O:20])[s:15][cH:16]2)[cH:8][cH:9]1)[C:21](=[O:22])[NH:35][NH:34][C:33](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41]