HRID102860

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID7918

Acetic anhydride

C4H6O3

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：COc1cc(C(=O)NS(=O)(=O)c2ccccc2C#CC(C)(C)O)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12

HCID19793571

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)NS(=O)(=O)c2ccccc2C#CC(C)(C)OC(C)=O)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12

HCID67884075

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3befd6f2b6074a8290982cdd2e97ac1e
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

[CH3:1][C:2](=[O:3])[O:4][C:5](=[O:6])[CH3:7].[CH3:54][N:55]([CH3:56])[c:57]1[cH:58][cH:59][n:60][cH:61][cH:62]1.[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[CH:8]1([O:13][C:14](=[O:15])[NH:16][c:17]2[cH:18][c:19]3[c:20]([CH2:27][c:28]4[c:29]([O:52][CH3:53])[cH:30][c:31]([C:32](=[O:33])[NH:34][S:35](=[O:36])(=[O:37])[c:38]5[c:39]([C:44]#[C:45][C:46]([CH3:47])([CH3:48])[OH:49])[cH:40][cH:41][cH:42][cH:43]5)[cH:50][cH:51]4)[cH:21][n:22]([CH3:26])[c:23]3[cH:24][cH:25]2)[CH2:9][CH2:10][CH2:11][CH2:12]1.[cH:63]1[cH:64][cH:65][n:66][cH:67][cH:68]1>>[CH3:1][C:2](=[O:3])[O:49][C:46]([C:45]#[C:44][c:39]1[c:38]([S:35]([NH:34][C:32]([c:31]2[cH:30][c:29]([O:52][CH3:53])[c:28]([CH2:27][c:20]3[c:19]4[cH:18][c:17]([NH:16][C:14]([O:13][CH:8]5[CH2:9][CH2:10][CH2:11][CH2:12]5)=[O:15])[cH:25][cH:24][c:23]4[n:22]([CH3:26])[cH:21]3)[cH:51][cH:50]2)=[O:33])(=[O:36])=[O:37])[cH:43][cH:42][cH:41][cH:40]1)([CH3:47])[CH3:48]