HRID199161

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID13831

Tributylphosphine

C12H27P

HCID16756990

Ethyl 2-(4-hydroxy-2-methylphenoxy)-2-methylpropanoate

C13H18O4

结构：Cc1nc(-c2ccc(OC(F)(F)F)cc2)cc(C(F)(F)F)c1CO

HCID21935754

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1ccc(OCc2c(C(F)(F)F)cc(-c3ccc(OC(F)(F)F)cc3)nc2C)cc1C

HCID86597814

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0b96e1f3e854b1bbc22945cf626db1a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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