HRID299500

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

HCID13514091

1-Methyl-4-(prop-2-yn-1-yl)piperazine

C8H14N2

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

HCID91352668

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(Cl)cc2)c2ccc(C#CCN3CCN(C)CC3)cc2)cc1C

HCID90812625

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6bb61516e0641db821f01403bcd7544
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH2:8][C:9]#[CH:10])[CH2:6][CH2:7]1.[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[Cl:11][c:12]1[cH:13][cH:14][c:15]([C:18](=[CH:19][CH2:20][O:21][c:22]2[cH:23][c:24]([CH3:34])[c:25]([O:26][CH2:27][C:28](=[O:29])[O:30][CH3:31])[cH:32][cH:33]2)[c:35]2[cH:36][cH:37][c:38]([I:41])[cH:39][cH:40]2)[cH:16][cH:17]1.[Cu:137][I:138].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[cH:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[cH:60]1[cH:61][cH:62][c:63]([P:64]([Pd:65]([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[P:104]([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)([c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[cH:135][cH:136]1>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH2:8][C:9]#[C:10][c:38]2[cH:37][cH:36][c:35]([C:18]([c:15]3[cH:14][cH:13][c:12]([Cl:11])[cH:17][cH:16]3)=[CH:19][CH2:20][O:21][c:22]3[cH:23][c:24]([CH3:34])[c:25]([O:26][CH2:27][C:28](=[O:29])[O:30][CH3:31])[cH:32][cH:33]3)[cH:40][cH:39]2)[CH2:6][CH2:7]1