HRID1238226

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID204484

Propylphosphonic acid

C3H9O3P

HCID10198914

未命名化合物

HCID11323485

2-(4-((2,4-DIOXOTHIAZOLIDIN-5-YL)METHYL)PHENOXY)ACETIC ACID

C12H11NO5S

PRODUCTS

生成物

结构：COc1ccc(NC(=O)COc2ccc(CC3SC(=O)NC3=O)cc2)c(N(C)C(=O)OC(C)(C)C)c1

HCID9936338

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba771dc4d93747f892b7fa0110fcf215
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[c:9]1[c:10]([NH2:17])[cH:11][cH:12][c:13]([O:15][CH3:16])[cH:14]1)=[O:18].[CH2:38]([P:39](=[O:40])([OH:41])[OH:42])[CH2:43][CH3:44].[CH2:50]([Cl:51])[Cl:52].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[Na+:45].[O:19]=[C:20]1[S:21][CH:22]([CH2:26][c:27]2[cH:28][cH:29][c:30]([O:31][CH2:32][C:33](=[O:34])[OH:35])[cH:36][cH:37]2)[C:23](=[O:25])[NH:24]1.[OH:46][C:47](=[O:48])[O-:49]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[c:9]1[c:10]([NH:17][C:33]([CH2:32][O:31][c:30]2[cH:29][cH:28][c:27]([CH2:26][CH:22]3[S:21][C:20](=[O:19])[NH:24][C:23]3=[O:25])[cH:37][cH:36]2)=[O:34])[cH:11][cH:12][c:13]([O:15][CH3:16])[cH:14]1)=[O:18]