HRID180300

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID7859

Propargyl alcohol

C3H4O

HCID8028

Tetrahydrofuran

C4H8O

HCID24350

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

CuI

HCID67872

Benzene, 1-bromo-4-(trifluoromethyl)-

C7H4BrF3

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

HCID11830428

3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-ol

C10H7F3O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f59b90ddd754e9cad73e6bf1afd34e6
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

[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1.[CH2:23]([C:24]#[CH:25])[OH:26].[CH3:32][CH2:33][O:34][CH2:35][CH3:36].[Cu:37][I:38].[N:12]12[CH2:13][CH2:14][CH2:15][N:16]=[C:17]1[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2.[O:27]1[CH2:28][CH2:29][CH2:30][CH2:31]1.[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[cH:114][cH:115]1>>[c:2]1([C:25]#[C:24][CH2:23][OH:26])[cH:3][cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1