HRID1538080

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID12176

Glycine ethyl ester

C4H9NO2

HCID62365

Isobutyl chloroformate

C5H9ClO2

结构：O=C(SCCC(=O)N1C(C(=O)O)CSC1c1ccccc1O)c1ccccc1

HCID12915687

3-[3-(Benzoylthio)-1-oxopropyl]-2-(2-hydroxyphenyl)-4-thiazolidinecarboxylic acid

C20H19NO5S2

PRODUCTS

生成物

结构：CCOC(=O)CNC(=O)C1CSC(c2ccccc2O)N1C(=O)CCSC(=O)c1ccccc1

HCID178472775

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8551d669441c48b4b91b6bb95cbaee3a
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:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[S:9][CH2:10][CH2:11][C:12](=[O:13])[N:14]1[CH:15]([c:22]2[c:23]([OH:28])[cH:24][cH:25][cH:26][cH:27]2)[S:16][CH2:17][CH:18]1[C:19](=[O:20])[OH:21].[C:36]([Cl:37])(=[O:38])[O:39][CH2:40][CH:41]([CH3:42])[CH3:43].[CH2:45]([CH3:46])[O:47][C:48]([CH2:49][NH2:50])=[O:51].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:29][N:30]1[CH2:31][CH2:32][O:33][CH2:34][CH2:35]1.[ClH:44].[OH2:57]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[S:9][CH2:10][CH2:11][C:12](=[O:13])[N:14]1[CH:15]([c:22]2[c:23]([OH:28])[cH:24][cH:25][cH:26][cH:27]2)[S:16][CH2:17][CH:18]1[C:19](=[O:21])[NH:50][CH2:49][C:48]([O:47][CH2:45][CH3:46])=[O:51]