HRID1128876

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID59216457

5-Bromo-1-methyl-3-[[5-(4-morpholinyl)-2-pyridinyl]amino]-2(1H)-pyridinone

C15H17BrN4O2

结构：CC(=O)OCc1c(B2OC(C)(C)C(C)(C)O2)cc(F)cc1N1CCc2c(sc3c2CC(C)(C)C3)C1=O

HCID67016224

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCc1c(-c2cc(Nc3ccc(N4CCOCC4)cn3)c(=O)n(C)c2)cc(F)cc1N1CCc2c(sc3c2CC(C)(C)C3)C1=O

HCID68096904

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-54ee5eaa825b49dbb396ca83db380216
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

[Br:37][c:38]1[cH:39][c:40]([NH:46][c:47]2[n:48][cH:49][c:50]([N:53]3[CH2:54][CH2:55][O:56][CH2:57][CH2:58]3)[cH:51][cH:52]2)[c:41](=[O:45])[n:42]([CH3:44])[cH:43]1.[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][c:6]1[c:7]([N:22]2[C:23](=[O:36])[c:24]3[s:25][c:26]4[c:30]([c:31]3[CH2:32][CH2:33]2)[CH2:29][C:28]([CH3:34])([CH3:35])[CH2:27]4)[cH:8][c:9]([F:21])[cH:10][c:11]1[B:12]1[O:13][C:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[O:20]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][c:6]1[c:7]([N:22]2[C:23](=[O:36])[c:24]3[s:25][c:26]4[c:30]([c:31]3[CH2:32][CH2:33]2)[CH2:29][C:28]([CH3:34])([CH3:35])[CH2:27]4)[cH:8][c:9]([F:21])[cH:10][c:11]1-[c:38]1[cH:39][c:40]([NH:46][c:47]2[n:48][cH:49][c:50]([N:53]3[CH2:54][CH2:55][O:56][CH2:57][CH2:58]3)[cH:51][cH:52]2)[c:41](=[O:45])[n:42]([CH3:44])[cH:43]1