HRID148218

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID10060777

未命名化合物

HCID19980260

4-Aminopiperidin-2-one

C5H10N2O

PRODUCTS

生成物

结构：CC(=O)SCC(Cc1ccccc1C)C(=O)NC1CCNC(=O)C1

HCID178477064

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5632ac2152ca407b95f53e8daac20486
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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