HRID2162808

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID6493

3-Methyl-3-pentanol

C6H14O

结构：COc1ccc(OC2CN(C(C)(C)CCC(C#N)(c3ccccc3)c3ccccc3)C2)cc1

HCID59423972

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(OC2CN(C(C)(C)CCC(C(N)=O)(c3ccccc3)c3ccccc3)C2)cc1

HCID59423907

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45684ca2b6134378bb7a660d629e0f8e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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