HRID939599

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(OC2CCN(C(C)(C)CCC(C#N)(c3ccccc3)c3ccccc3)C2)cc1Cl

HCID72280452

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(OC2CCN(C(C)(C)CCC(C(N)=O)(c3ccccc3)c3ccccc3)C2)cc1Cl

HCID72280448

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea63425f1f5b47aab7a2474f0bb1d8d1
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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