HRID2158355

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

HCID2779765

4-(Trifluoromethyl)cyclohexan-1-ol

C7H11F3O

结构：O=C(O)C1(c2ccc(-c3ccc(O)cc3)c(F)c2)CC1

HCID11601491

1-(2-Fluoro-4′-hydroxy[1,1′-biphenyl]-4-yl)cyclopropanecarboxylic acid

C16H13FO3

PRODUCTS

生成物

结构：O=C(O)C1(c2ccc(-c3ccc(OC4CCC(C(F)(F)F)CC4)cc3)c(F)c2)CC1

HCID10364928

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6beff3ca7e3344a2871db1d217493190
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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