HRID1538998

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID10439

2-Aminopyridine

C5H6N2

结构：COCCOc1cc2nccc(Oc3ccc(NC(=O)Oc4ccccc4)cc3)c2cc1C#N

HCID22936727

未命名化合物

PRODUCTS

生成物

结构：COCCOc1cc2nccc(Oc3ccc(NC(=O)Nc4ccccn4)cc3)c2cc1C#N

HCID10115163

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90b8525a2a7446219bd096f148969711
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][c:5]2[c:6]([O:18][c:19]3[cH:20][cH:21][c:22]([NH:25][C:26]([O:27][c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)=[O:28])[cH:23][cH:24]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH2:14][CH2:15][O:16][CH3:17].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH3:49][S:50]([CH3:51])=[O:52].[NH2:35][c:36]1[n:37][cH:38][cH:39][cH:40][cH:41]1.[OH2:48]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]2[c:6]([O:18][c:19]3[cH:20][cH:21][c:22]([NH:25][C:26](=[O:27])[NH:35][c:36]4[n:37][cH:38][cH:39][cH:40][cH:41]4)[cH:23][cH:24]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH2:14][CH2:15][O:16][CH3:17]