HRID1536544

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID24350

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

CuI

HCID287929

2-[Methyl(prop-2-yn-1-yl)amino]ethan-1-ol

C6H11NO

结构：COC(=O)COc1ccc(OCC=C(c2ccc(I)cc2)c2ccc3oc(C)cc3c2)cc1C

HCID91225528

未命名化合物

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

结构：COC(=O)COc1ccc(OCC=C(c2ccc(C#CCN(C)CCO)cc2)c2ccc3oc(C)cc3c2)cc1C

HCID91325274

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e0ca15f69c349d3b31a6b5f78af699b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:1][N:2]([CH2:3][C:4]#[CH:5])[CH2:6][CH2:7][OH:8].[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[Cu:138][I:139].[I:9][c:10]1[cH:11][cH:12][c:13]([C:16](=[CH:17][CH2:18][O:19][c:20]2[cH:21][c:22]([CH3:32])[c:23]([O:24][CH2:25][C:26](=[O:27])[O:28][CH3:29])[cH:30][cH:31]2)[c:33]2[cH:34][c:35]3[c:36]([o:37][c:38]([CH3:40])[cH:39]3)[cH:41][cH:42]2)[cH:14][cH:15]1.[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[cH:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[cH:61]1[cH:62][cH:63][c:64]([P:65]([Pd:66]([P:67]([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)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([P:86]([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)[P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)([c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[cH:136][cH:137]1>>[CH3:1][N:2]([CH2:3][C:4]#[C:5][c:10]1[cH:11][cH:12][c:13]([C:16](=[CH:17][CH2:18][O:19][c:20]2[cH:21][c:22]([CH3:32])[c:23]([O:24][CH2:25][C:26](=[O:27])[O:28][CH3:29])[cH:30][cH:31]2)[c:33]2[cH:34][c:35]3[c:36]([o:37][c:38]([CH3:40])[cH:39]3)[cH:41][cH:42]2)[cH:14][cH:15]1)[CH2:6][CH2:7][OH:8]