HRID181031

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID9967712

未命名化合物

HCID11789874

未命名化合物

PRODUCTS

生成物

结构：CCCN(CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1)CCC

HCID11733863

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c43d380d2a548d7b2626ed1d610f438
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:1]([CH2:2][CH3:3])[N:4]([CH2:5][C:6]#[C:7][C:8](=[O:9])[OH:10])[CH2:11][CH2:12][CH3:13].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:14][N:15]1[CH2:16][CH2:17][O:18][CH2:19][CH2:20]1.[NH2:21][c:22]1[cH:23][c:24]2[c:25]([NH:34][c:35]3[cH:36][c:37]([Br:41])[cH:38][cH:39][cH:40]3)[c:26]([C:32]#[N:33])[cH:27][n:28][c:29]2[cH:30][cH:31]1.[cH:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1>>[CH2:1]([CH2:2][CH3:3])[N:4]([CH2:5][C:6]#[C:7][C:8](=[O:10])[NH:21][c:22]1[cH:23][c:24]2[c:25]([NH:34][c:35]3[cH:36][c:37]([Br:41])[cH:38][cH:39][cH:40]3)[c:26]([C:32]#[N:33])[cH:27][n:28][c:29]2[cH:30][cH:31]1)[CH2:11][CH2:12][CH3:13]