HRID1140709

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID24350

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

CuI

HCID66111

Trimethylsilylacetylene

C5H10Si

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(O)c1ncc(-c2cc(Br)cc(Nc3nccc(C(F)(F)F)n3)c2)s1

HCID67256599

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：CC(C)(O)c1ncc(-c2cc(C#C[Si](C)(C)C)cc(Nc3nccc(C(F)(F)F)n3)c2)s1

HCID67257598

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3fe05c403e7d4cf19315d1292268f357
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

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