HRID185797

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID76335

3,3-Dimethylbutyraldehyde

C6H12O

结构：CC(C)=CCN(c1ccc(OCc2ccccc2)cc1)C1CCNCC1

HCID10641624

未命名化合物

HCID21191011

未命名化合物

PRODUCTS

生成物

结构：CC(C)=CCN(c1ccc(C(C)C)cc1)C1CCN(CCC(C)(C)C)CC1

HCID21191049

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-797f057436744178b0ff51e7f96e3597
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

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