HRID301201

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6935890

phenyl pyridin-3-ylcarbamate

C12H10N2O2

反应SMILES：CNC(=O)Nc1ccc(-c2nc(-c3ccc(N)cc3)nc(N3C(C)COCC3C)n2)cc1

HCID67438018

未命名化合物

PRODUCTS

产物

反应SMILES：CNC(=O)Nc1ccc(-c2nc(-c3ccc(NC(=O)Nc4cccnc4)cc3)nc(N3C(C)COCC3C)n2)cc1

HCID66585544

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5aee7a07709a47bbb9eafa9c21c0cf38
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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