HRID957520

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7912

Diisopropylamine

C6H15N

HCID8258

2-Methyl-3-butyn-2-ol

C5H8O

HCID12163

4-Chlorobenzonitrile

C7H4ClN

HCID23938

Palladium

HCID83717

Copper iodide (CuI2)

CuI2

结构：CC(=C(c1ccccc1)c1ccccc1)P(C1CCCCC1)C1CCCCC1

HCID12010824

Cy-vBRIDP

C27H35P

PRODUCTS

生成物

HCID2822155

4-(4-cyanophenyl)-2-methyl-3-butyne-2-ol

C12H11NO

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-023f811798164067bf008e0c37241e48
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:10][C:11]([CH3:12])([C:13]#[CH:14])[OH:15].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[CH:44]([NH:45][CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1.[Cu:52]([I:53])[I:54].[Pd:51].[c:16]1([C:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)=[C:24]([P:25]([CH:26]2[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]2)[CH:32]2[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]2)[CH3:38])[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[c:2]1([C:14]#[C:13][C:11]([CH3:10])([CH3:12])[OH:15])[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1