HRID2347109

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11401617

Phenyl pyridin-4(1H)-ylidenecarbamate

C12H10N2O2

结构：CNC(=O)Nc1ccc(-c2nc(-c3ccc(N)cc3)nc(N3CCOCC3)n2)cc1

HCID67438523

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)Nc1ccc(-c2nc(-c3ccc(NC(=O)Nc4ccncc4)cc3)nc(N3CCOCC3)n2)cc1

HCID66585542

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f30a762197d24a03b9a6831308c39b03
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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