HRID184869

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID75019

3-(3,4-Dimethoxyphenyl)propionic acid

C11H14O4

HCID619953

5-Chloro-2-(3,4-dimethoxyphenyl)-2-(propan-2-yl)pentanenitrile

C16H22ClNO2

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CC(CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)C(=O)O)cc1OC

HCID14027165

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8bc304959c74326895b1917ab25ffa1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:19][O:20][c:21]1[cH:22][c:23]([CH2:29][CH2:30][C:31](=[O:32])[OH:33])[cH:24][cH:25][c:26]1[O:27][CH3:28].[CH3:34][O:35][c:36]1[cH:37][c:38]([C:44]([C:45]#[N:46])([CH2:47][CH2:48][CH2:49][Cl:50])[CH:51]([CH3:52])[CH3:53])[cH:39][cH:40][c:41]1[O:42][CH3:43].[CH3:61][N:62]([P:63]([N:64]([CH3:65])[CH3:66])([N:67]([CH3:68])[CH3:69])=[O:70])[CH3:71].[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].[ClH:54].[OH2:60]>>[CH3:19][O:20][c:21]1[cH:22][c:23]([CH2:29][CH:30]([C:31](=[O:32])[OH:33])[CH2:49][CH2:48][CH2:47][C:44]([c:38]2[cH:37][c:36]([O:35][CH3:34])[c:41]([O:42][CH3:43])[cH:40][cH:39]2)([C:45]#[N:46])[CH:51]([CH3:52])[CH3:53])[cH:24][cH:25][c:26]1[O:27][CH3:28]