HRID126241

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11217879

未命名化合物

HCID135513641

未命名化合物

结构：CC(n1cnn(-c2ccc(OC(F)(F)F)cc2)c1=O)C1(c2ccc(F)cc2F)CO1

HCID178462839

未命名化合物

PRODUCTS

生成物

结构：CC(Oc1ncnn1-c1ccc(OC(F)(F)F)cc1)C1(c2ccc(F)cc2F)CO1

HCID178467462

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17c2308127954470bbc37ff1f42e1e73
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

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