HRID98714

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID8471

Triethylamine

C6H15N

HCID10867196

Acetic acid, oxo-, (4-methoxyphenyl)methyl ester

C10H10O4

结构：COC(=O)C1CCC(C(=O)CSC2NC(=O)C2NC(=O)Cc2ccccc2)O1

HCID178497974

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CCC(C(=O)CSC2C(NC(=O)Cc3ccccc3)C(=O)N2C(O)C(=O)OCc2ccc(OC)cc2)O1

HCID86755104

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d52241b3bdc42b9aee691f85c2dcc23
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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