HRID1553482

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID7519

Anisole

C7H8O

HCID8028

Tetrahydrofuran

C4H8O

HCID8037

N,N,N',N'-Tetramethylethylenediamine

C6H16N2

HCID8058

n-Hexane

C6H14

HCID15413

Methyl tert-butyl ether

C5H12O

HCID67714352

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1C1(O)CC(C)CC2CN(Cc3ccccc3)CC21

HCID67714386

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-219990a0649247edb2bcfaa1de539792
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:14]([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[N:21]1[CH2:22][CH:23]2[CH2:24][CH:25]([CH3:31])[CH2:26][C:27](=[O:30])[CH:28]2[CH2:29]1.[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH3:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39].[CH3:40][O:41][C:42]([CH3:43])([CH3:44])[CH3:45].[CH3:46][N:47]([CH3:48])[CH2:49][CH2:50][N:51]([CH3:52])[CH3:53].[CH3:6][O:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1.[Cl-:32].[NH4+:33].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1>>[CH3:6][O:7][c:8]1[c:9]([C:27]2([OH:30])[CH2:26][CH:25]([CH3:31])[CH2:24][CH:23]3[CH2:22][N:21]([CH2:14][c:15]4[cH:16][cH:17][cH:18][cH:19][cH:20]4)[CH2:29][CH:28]32)[cH:10][cH:11][cH:12][cH:13]1