HRID2150166

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

结构：COCC1SCC2C(NC(=O)C(=NOC)c3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)C(=O)N2C1(O)C(=O)OC(C)(C)C

HCID53971998

未命名化合物

PRODUCTS

生成物

结构：COCC1=C(C(=O)OC(C)(C)C)N2C(=O)C(NC(=O)C(=NOC)c3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)C2CS1

HCID54521582

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4aefa2f2e7a24d308a8d8acf11706258
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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