HRID691831

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID15892

Benzonitrile, 3,4,5-trimethoxy-

C10H11NO3

HCID13358777

5-Methoxy-2-methylpyridine

C7H9NO

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CC(=O)c2cc(OC)c(OC)c(OC)c2)nc1

HCID52951617

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f793ac182c0c4136ae600c9e279948a3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:44]1[CH2:47][CH2:46][CH2:45][O:48]1.[CH3:19][O:20][c:21]1[cH:22][cH:23][c:24]([CH3:27])[n:25][cH:26]1.[CH3:1][CH2:2][CH2:3][CH2:4][Li:5].[CH3:28][O:29][c:30]1[cH:31][c:32]([C:33]#[N:34])[cH:35][c:36]([O:40][CH3:41])[c:37]1[O:38][CH3:39].[CH3:6][CH2:7][CH2:8][CH2:9][CH2:10][CH3:11].[CH:12]([NH:13][CH:14]([CH3:15])[CH3:16])([CH3:17])[CH3:18].[Cl-:42].[NH4+:43]>>[CH3:19][O:20][c:21]1[cH:22][cH:23][c:24]([CH2:27][C:33]([c:32]2[cH:31][c:30]([O:29][CH3:28])[c:37]([O:38][CH3:39])[c:36]([O:40][CH3:41])[cH:35]2)=[O:48])[n:25][cH:26]1