HRID1213924

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID7918

Acetic anhydride

C4H6O3

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：COC(=O)c1sc(-c2ccccc2)cc1N(C(=O)C1CCC(C)CC1N=[N+]=[N-])C(C)C

HCID59752394

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1sc(-c2ccccc2)cc1N(C(=O)C1CCC(C)CC1NC(C)=O)C(C)C

HCID59752365

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9824fc3f78d5428193d6020ebdc57b7d
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

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