HRID94218

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7859

Propargyl alcohol

C3H4O

HCID8028

Tetrahydrofuran

C4H8O

HCID24350

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

CuI

HCID77595

1-Bromo-4-tert-butylbenzene

C10H13Br

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

HCID15478440

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b225ea5b12734ba99b2fad5a0f9d67f1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH3:9])([CH3:10])[CH3:11])[cH:6][cH:7]1.[CH2:23]([C:24]#[CH:25])[OH:26].[Cu:32][I:33].[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:34]1[cH:35][cH:36][c:37]([P:38]([Pd:39]([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)([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)([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([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)[P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[cH:109][cH:110]1>>[c:2]1([C:25]#[C:24][CH2:23][OH:26])[cH:3][cH:4][c:5]([C:8]([CH3:9])([CH3:10])[CH3:11])[cH:6][cH:7]1