HRID121741

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(CO)(NC(=O)C(Br)Cc1ccccc1)c1cc(Br)ccc1F

HCID58155233

未命名化合物

结构：CC1(c2cc(Br)ccc2F)COC(Cc2ccccc2)C(=O)N1

HCID178421534

未命名化合物

2 次

PRODUCTS

生成物

结构：CC(CO)(NC(=O)C=Cc1ccccc1)c1cc(Br)ccc1F

HCID66931645

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d982d573f93a43439a3b8a0148bc2a44
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

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