HRID1559413

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID595993

4-(Diethoxymethyl)benzaldehyde

C12H16O3

HCID2724942

未命名化合物

HCID58026283

未命名化合物

PRODUCTS

生成物

结构：CCOC(OCC)c1ccc(CN2CCC3(CCN(CC(C)C)CC3)C2)cc1

HCID68953547

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68a22fbe12bf4bed90dc10328f621a14
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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