HRID1140506

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID6212

Chloroform

CHCl3

HCID136601

未命名化合物

结构：CN1CCC2(CC1)SC(C(C(=O)OC(C)(C)C)N1C(=O)c3ccccc3C1=O)NC2C(=O)O

HCID23458743

未命名化合物

PRODUCTS

生成物

结构：CN1CCC2(CC1)SC(C(C(=O)OC(C)(C)C)N1C(=O)c3ccccc3C1=O)NC2C(=O)OCc1ccccc1

HCID23458717

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c116ba2d83cc458fb4c0fe31a1c09beb
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](=[O:2])([OH:3])[CH:4]1[NH:5][CH:6]([CH:15]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[N:23]2[C:24](=[O:33])[c:25]3[c:26]([cH:29][cH:30][cH:31][cH:32]3)[C:27]2=[O:28])[S:7][C:8]12[CH2:9][CH2:10][N:11]([CH3:14])[CH2:12][CH2:13]2.[CH:43]([OH:44])=[O:45].[CH:46]([Cl:47])([Cl:48])[Cl:49].[N+:34](=[N-:35])=[CH:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[C:1]([O:2][CH2:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)(=[O:3])[CH:4]1[NH:5][CH:6]([CH:15]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[N:23]2[C:24](=[O:33])[c:25]3[c:26]([cH:29][cH:30][cH:31][cH:32]3)[C:27]2=[O:28])[S:7][C:8]12[CH2:9][CH2:10][N:11]([CH3:14])[CH2:12][CH2:13]2