HRID86792

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：CC(C)(CCC(C#N)(c1ccccc1)c1ccccc1)N1CCC(Oc2ccccc2)C1

HCID76188677

未命名化合物

PRODUCTS

生成物

结构：CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CCC(Oc2ccccc2)C1

HCID73230720

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b4759c1f774404a8136fe1a3e7b9dbd
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

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