HRID1145772

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8258

2-Methyl-3-butyn-2-ol

C5H8O

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

3 次

HCID12162

Benzonitrile, 4-bromo-

C7H4BrN

HCID24290

未命名化合物

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

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-a52580e3987b4449afd5fe254a24ab44
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1.[CH3:10][C:11]([C:12]#[CH:13])([CH3:14])[OH:15].[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[Cu:83][I:84].[Pd:42]([Cl:43])[Cl:44].[c:16]1([P:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:30][cH:31][cH:32][cH:33][cH:34]1.[c:45]1([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[cH:59][cH:60][cH:61][cH:62][cH:63]1.[c:64]1([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[cH:78][cH:79][cH:80][cH:81][cH:82]1>>[c:2]1([C:13]#[C:12][C:11]([CH3:10])([CH3:14])[OH:15])[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1