HRID1115599

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID28486

Lithium ion

Li+

HCID119440

1-Hydroxyethyl radical

C2H5O-

HCID9887591

2-[4-(Bromomethyl)phenyl]pyridine

C12H10BrN

结构：CC(C)(C)OC(=O)NC(Cc1ccccc1)C1CCC(=O)O1

HCID18759174

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(Cc1ccccc1)C1CC(Cc2ccc(-c3ccccn3)cc2)C(=O)O1

HCID73019446

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-881fa6a4e58f45f6b48e920bec3899d5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:23][CH2:24][c:25]1[cH:26][cH:27][c:28](-[c:31]2[n:32][cH:33][cH:34][cH:35][cH:36]2)[cH:29][cH:30]1.[CH3:38][CH2:39][O-:40].[CH3:44][C:45](=[O:46])[OH:47].[CH3:48][CH2:49][OH:50].[Li+:43].[Na+:37].[O:1]=[C:2]1[CH2:3][CH2:4][CH:5]([CH:7]([CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[NH:15][C:16]([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:22])[O:6]1.[OH-:42].[OH2:41].[OH2:51]>>[O:1]=[C:2]1[CH:3]([CH2:24][c:25]2[cH:26][cH:27][c:28](-[c:31]3[n:32][cH:33][cH:34][cH:35][cH:36]3)[cH:29][cH:30]2)[CH2:4][CH:5]([CH:7]([CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[NH:15][C:16]([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:22])[O:6]1