HRID1146432

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID19266

Acedoben

C9H9NO3

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID9859502

4-Thiazolidinecarboxylic acid, 3-(3-mercapto-2-methyl-1-oxopropyl)-

C8H13NO3S2

PRODUCTS

生成物

结构：CC(=O)Nc1ccc(C(=O)SCC(C)C(=O)N2CSCC2C(=O)O)cc1

HCID178474229

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16675faf3d554c06ab3786346e84b280
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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