HRID156375

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID7912

Diisopropylamine

C6H15N

HCID8071

未命名化合物

HCID10962

1-Iodobutane

C4H9I

HCID28486

Lithium ion

Li+

HCID36620

1(2H)-Naphthalenone, 3,4-dihydro-5-methoxy-

C11H12O2

HCID5062348

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

产物

HCID10684794

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b49ceb7d579d41c986de769f195204e8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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