HRID1127577

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID15649174

4-Methylpiperidin-4-ol

C6H13NO

结构：O=c1cc(OCc2ccccn2)ccn1CCc1ccc(CBr)cc1

HCID67007740

未命名化合物

PRODUCTS

生成物

结构：CC1(O)CCN(Cc2ccc(CCn3ccc(OCc4ccccn4)cc3=O)cc2)CC1

HCID58042799

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fdbe908160274c5a8286da05e07a3a8b
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:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([CH2:9][CH2:10][n:11]2[c:12](=[O:25])[cH:13][c:14]([O:17][CH2:18][c:19]3[n:20][cH:21][cH:22][cH:23][cH:24]3)[cH:15][cH:16]2)[cH:7][cH:8]1.[CH2:34]([N:35]([CH:36]([CH3:37])[CH3:38])[CH:39]([CH3:40])[CH3:41])[CH3:42].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[OH:26][C:27]1([CH3:33])[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]1>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]([CH2:9][CH2:10][n:11]2[c:12](=[O:25])[cH:13][c:14]([O:17][CH2:18][c:19]3[n:20][cH:21][cH:22][cH:23][cH:24]3)[cH:15][cH:16]2)[cH:7][cH:8]1)[N:30]1[CH2:29][CH2:28][C:27]([OH:26])([CH3:33])[CH2:32][CH2:31]1