HRID1131393

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11217879

未命名化合物

HCID135507039

未命名化合物

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

HCID178462832

未命名化合物

PRODUCTS

生成物

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

HCID178467461

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3447568f358f4528ba82a53fb9a44648
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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