HRID93436

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1390

1-Methylimidazole

C4H6N2

结构：c1ccc(C(c2ccccc2)(c2ccccc2)n2ccnc2)cc1

HCID618231

1-Trityl-1H-imidazole

C22H18N2

HCID54112501

未命名化合物

结构：COC(=O)c1ccc(C=CCc2nccn2C)cc1-c1ccc(F)cc1

HCID54337160

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C=CCc2nccn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1ccc(F)cc1

HCID53761990

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-770149c7b0c24d53b398a1978011307b
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

[C:48]([c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)([c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)([c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)[n:67]1[cH:68][n:69][cH:70][cH:71]1.[CH3:22][n:23]1[cH:24][cH:25][n:26][c:27]1[CH2:28][CH:29]=[CH:30][c:31]1[cH:32][cH:33][c:34]([C:35]([O:36][CH3:37])=[O:38])[c:39](-[c:40]2[cH:41][cH:42][c:43]([F:44])[cH:45][cH:46]2)[cH:47]1.[CH3:72][n:73]1[cH:74][cH:75][n:76][cH:77]1.[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([C:10](=[O:11])[O:12][CH3:13])[cH:14][cH:15][c:16]([CH:18]=[CH:19][CH2:20][Br:21])[cH:17]2)[cH:6][cH:7]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([C:10](=[O:11])[O:12][CH3:13])[cH:14][cH:15][c:16]([CH:18]=[CH:19][CH2:20][c:68]3[n:67]([C:48]([c:49]4[cH:50][cH:51][cH:52][cH:53][cH:54]4)([c:55]4[cH:56][cH:57][cH:58][cH:59][cH:60]4)[c:61]4[cH:62][cH:63][cH:64][cH:65][cH:66]4)[cH:71][cH:70][n:69]3)[cH:17]2)[cH:6][cH:7]1