HRID1139381

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22722014

1-(Piperidin-4-yl)-1,4-diazepan-5-one

C10H19N3O

结构：CCOc1nc(C(C)(C)C)ncc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)Cl

HCID76588520

未命名化合物

PRODUCTS

生成物

结构：CCOc1nc(C(C)(C)C)ncc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCC(N2CCNC(=O)CC2)CC1

HCID67205854

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df1147f014d34a59bb50e5257333a3e2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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