HRID677633

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Brc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID2773274

4-Bromo-1-trityl-1H-imidazole

C22H17BrN2

结构：CCOc1cc(CN(c2ccc(C#N)cc2)c2nc(Br)cn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c(F)c(OC(C)C)c1

HCID68812817

未命名化合物

结构：CCc1cc(C=Nc2ccc(C#N)cc2)c(F)c(O[Si](C)(C)C(C)(C)C)c1

HCID68814076

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(CN(c2ccc(C#N)cc2)c2nc(Br)cn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c(F)c(O[Si](C)(C)C(C)(C)C)c1

HCID68813056

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52d5560dd24a45509670f54ef8395303
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[n:3][c:4]([N:5]([CH2:6][c:7]2[cH:8][c:9]([O:10][CH2:11][CH3:12])[cH:13][c:14]([O:15][CH:16]([CH3:17])[CH3:18])[c:19]2[F:20])[c:21]2[cH:22][cH:23][c:24]([C:25]#[N:26])[cH:27][cH:28]2)[n:29]([C:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:49]1.[Br:50][c:51]1[n:52][cH:53][n:54]([C:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([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)[cH:55]1.[C:75]([CH3:76])([CH3:77])([CH3:78])[Si:79]([O:80][c:81]1[c:82]([F:99])[c:83]([CH:84]=[N:85][c:86]2[cH:87][cH:88][c:89]([C:90]#[N:91])[cH:92][cH:93]2)[cH:94][c:95]([CH2:97][CH3:98])[cH:96]1)([CH3:100])[CH3:101]>>[Br:50][c:51]1[n:52][c:53]([N:85]([CH2:84][c:83]2[c:82]([F:99])[c:81]([O:80][Si:79]([C:75]([CH3:76])([CH3:77])[CH3:78])([CH3:100])[CH3:101])[cH:96][c:95]([CH2:97][CH3:98])[cH:94]2)[c:86]2[cH:87][cH:88][c:89]([C:90]#[N:91])[cH:92][cH:93]2)[n:54]([C:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([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)[cH:55]1