HRID1541073

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11557851

3-amino-N-(5-chloropyridin-2-yl)pyridine-2-carboxamide

C11H9ClN4O

结构：CC(C)(C)OC(=O)NCCOc1cc(S(C)(=O)=O)ccc1C(=O)O

HCID57936628

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCOc1cc(S(C)(=O)=O)ccc1C(=O)Nc1cccnc1C(=O)Nc1ccc(Cl)cn1

HCID57936590

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-20c41d241c494886b523a8c276797c62
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]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][O:11][c:12]1[c:13]([C:14](=[O:15])[OH:16])[cH:17][cH:18][c:19]([S:21](=[O:22])(=[O:23])[CH3:24])[cH:20]1.[NH2:25][c:26]1[c:27]([C:32](=[O:33])[NH:34][c:35]2[n:36][cH:37][c:38]([Cl:41])[cH:39][cH:40]2)[n:28][cH:29][cH:30][cH:31]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][O:11][c:12]1[c:13]([C:14](=[O:16])[NH:25][c:26]2[c:27]([C:32](=[O:33])[NH:34][c:35]3[n:36][cH:37][c:38]([Cl:41])[cH:39][cH:40]3)[n:28][cH:29][cH:30][cH:31]2)[cH:17][cH:18][c:19]([S:21](=[O:22])(=[O:23])[CH3:24])[cH:20]1