HRID1116062

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID2768377

未命名化合物

HCID2775139

2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid

C12H11NO3

PRODUCTS

生成物

结构：Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(CC2SC(=O)NC2=O)cc1

HCID15751812

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-461267ca650947d69cc42ca6afa77b3d
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

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