HRID90334

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：CC(=O)NC(Cc1ccccc1)CC(O)C(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1

HCID178474666

未命名化合物

PRODUCTS

生成物

结构：NC(Cc1ccccc1)CC(O)C(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1

HCID18758850

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c16426edc19c47408824bf44a5decac1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[N:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[CH:17]([CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[CH:25]([CH2:26][CH:27]([CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[NH:35][C:36](=[O:37])[CH3:38])[OH:39].[CH2:42]([OH:43])[CH2:44][CH2:45][CH3:46].[ClH:1].[Na+:41].[OH-:40]>>[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[N:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[CH:17]([CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[CH:25]([CH2:26][CH:27]([CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[NH2:35])[OH:39]