HRID1147660

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID947

Nitrogen

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：COc1ccc(Cn2nc(I)c3c(Oc4ccc(N(C(=O)C5(C(N)=O)CC5)c5ccc(F)cc5)cc4F)ccnc32)cc1

HCID68512093

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：COc1ccc(Cn2nc(C#CCN3CCN(C)CC3)c3c(Oc4ccc(N(C(=O)C5(C(N)=O)CC5)c5ccc(F)cc5)cc4F)ccnc32)cc1

HCID68518374

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ada85cf342ec489799c81fa73288b85f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:142]1[O:143][CH2:144][CH2:145][CH2:146]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[n:9][c:10]([I:41])[c:11]3[c:12]2[n:13][cH:14][cH:15][c:16]3[O:17][c:18]2[c:19]([F:40])[cH:20][c:21]([N:24]([C:25](=[O:26])[C:27]3([C:30](=[O:31])[NH2:32])[CH2:28][CH2:29]3)[c:33]3[cH:34][cH:35][c:36]([F:39])[cH:37][cH:38]3)[cH:22][cH:23]2)[cH:42][cH:43]1.[CH3:44][N:45]1[CH2:46][CH2:47][N:48]([CH2:51][C:52]#[CH:53])[CH2:49][CH2:50]1.[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[Cu:63][I:64].[N:61]#[N:62].[cH:65]1[cH:66][cH:67][c:68]([P:69]([Pd:70]([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([P:90]([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)[P:109]([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)([c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[c:134]2[cH:135][cH:136][cH:137][cH:138][cH:139]2)[cH:140][cH:141]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[n:9][c:10]([C:53]#[C:52][CH2:51][N:48]3[CH2:47][CH2:46][N:45]([CH3:44])[CH2:50][CH2:49]3)[c:11]3[c:12]2[n:13][cH:14][cH:15][c:16]3[O:17][c:18]2[c:19]([F:40])[cH:20][c:21]([N:24]([C:25](=[O:26])[C:27]3([C:30](=[O:31])[NH2:32])[CH2:28][CH2:29]3)[c:33]3[cH:34][cH:35][c:36]([F:39])[cH:37][cH:38]3)[cH:22][cH:23]2)[cH:42][cH:43]1