HRID686386

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID243

Benzoic acid

C7H6O2

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID554274

7,7-Dimethoxyheptanal

C9H18O3

HCID2724942

未命名化合物

HCID11651846

N-isopropyl-1-((4-methoxypyridin-3-yl)methyl)piperidin-4-amine

C15H25N3O

PRODUCTS

生成物

结构：COc1ccncc1CN1CCC(N(CCCCCCC(OC)OC)C(C)C)CC1

HCID68902939

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2f1cacb788b408b958e53c8a032db66
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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