HRID1553527

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID16275

Cyclohexanaecarboxaldehyde

C7H12O

HCID28123

Tetrahydroborate

H4B-

结构：COc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCNCC2)cc1

HCID9946526

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CC(=O)N(Cc2ccc(C)cc2)C2CCN(CC3CCCCC3)CC2)cc1

HCID10138692

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f9b29cdcfdf4932bfa586f6c76bbf2e
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

[BH4-:36].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:9][C:10](=[O:11])[N:12]([CH:13]2[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]2)[CH2:19][c:20]2[cH:21][cH:22][c:23]([CH3:26])[cH:24][cH:25]2)[cH:7][cH:8]1.[CH3:38][CH2:39][OH:40].[CH3:41][C:42](=[O:43])[OH:44].[CH:28]1([CH:34]=[O:35])[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]1.[ClH:27].[Na+:37]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:9][C:10](=[O:11])[N:12]([CH:13]2[CH2:14][CH2:15][N:16]([CH2:34][CH:28]3[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]3)[CH2:17][CH2:18]2)[CH2:19][c:20]2[cH:21][cH:22][c:23]([CH3:26])[cH:24][cH:25]2)[cH:7][cH:8]1