HRID683151

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1277668

5-Iodo-1-methyl-1H-imidazole

C4H5IN2

HCID54112501

未命名化合物

结构：COC(=O)c1ccc(C=CCc2cncn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1ccc(F)cc1

HCID54336066

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C=CCc2cncn2C)cc1-c1ccc(F)cc1

HCID54550986

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b01e5ca540d14f5d9972852826c8d470
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][CH2:2][CH:3]=[CH:4][c:5]1[cH:6][cH:7][c:8]([C:9]([O:10][CH3:11])=[O:12])[c:13](-[c:14]2[cH:15][cH:16][c:17]([F:18])[cH:19][cH:20]2)[cH:21]1.[C:29]([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)([c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)[n:48]1[cH:49][n:50][cH:51][c:52]1[CH2:53][CH:54]=[CH:55][c:56]1[cH:57][c:58](-[c:66]2[cH:67][cH:68][c:69]([F:72])[cH:70][cH:71]2)[c:59]([C:60](=[O:61])[O:62][CH3:63])[cH:64][cH:65]1.[I:22][c:23]1[n:24]([CH3:25])[cH:26][n:27][cH:28]1>>[CH3:29][n:48]1[cH:49][n:50][cH:51][c:52]1[CH2:53][CH:54]=[CH:55][c:56]1[cH:57][c:58](-[c:66]2[cH:67][cH:68][c:69]([F:72])[cH:70][cH:71]2)[c:59]([C:60](=[O:61])[O:62][CH3:63])[cH:64][cH:65]1