HRID116408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID24350

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

CuI

HCID81531

Diisopropylethylamine

C8H19N

HCID13514091

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

C8H14N2

HCID58474950

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：CN1CCN(CC#Cc2cc3nccc(Oc4ccc(N)cc4F)c3s2)CC1

HCID67345499

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e758aad5f6df4a9aa13dade6c62fc7a5
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

[CH2:118]1[O:119][CH2:120][CH2:121][CH2:122]1.[CH2:30]([N:31]([CH:32]([CH3:33])[CH3:34])[CH:35]([CH3:36])[CH3:37])[CH3:38].[CH3:20][N:21]1[CH2:22][CH2:23][N:24]([CH2:27][C:28]#[CH:29])[CH2:25][CH2:26]1.[Cu:116][I:117].[F:1][c:2]1[cH:3][c:4]([NH2:5])[cH:6][cH:7][c:8]1[O:9][c:10]1[c:11]2[c:12]([n:13][cH:14][cH:15]1)[cH:16][c:17]([I:19])[s:18]2.[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[cH:114][cH:115]1>>[F:1][c:2]1[cH:3][c:4]([NH2:5])[cH:6][cH:7][c:8]1[O:9][c:10]1[c:11]2[c:12]([n:13][cH:14][cH:15]1)[cH:16][c:17]([C:29]#[C:28][CH2:27][N:24]1[CH2:23][CH2:22][N:21]([CH3:20])[CH2:26][CH2:25]1)[s:18]2