HRID189293

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID7859

Propargyl alcohol

C3H4O

HCID8028

Tetrahydrofuran

C4H8O

HCID24350

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

CuI

HCID81184

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

C9H16N2

HCID736413

1-Bromo-4-[(trifluoromethyl)sulfanyl]benzene

C7H4BrF3S

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

HCID67145801

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea2da45d7f1040bbba4440d435012ced
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]([S:8][C:9]([F:10])([F:11])[F:12])[cH:6][cH:7]1.[CH2:24]([C:25]#[CH:26])[OH:27].[ClH:28].[Cu:34][I:35].[N:13]12[CH2:14][CH2:15][CH2:16][N:17]=[C:18]1[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2.[O:29]1[CH2:30][CH2:31][CH2:32][CH2:33]1.[cH:36]1[cH:37][cH:38][c:39]([P:40]([Pd:41]([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[cH:111][cH:112]1>>[c:2]1([C:26]#[C:25][CH2:24][OH:27])[cH:3][cH:4][c:5]([S:8][C:9]([F:10])([F:11])[F:12])[cH:6][cH:7]1