HRID172294

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

HCID2760897

Cyclopropylboronic acid

C3H7BO2

结构：COc1cc(F)c(C(C)C)cc1-c1ccc(Br)cc1CN1C(=O)OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C

HCID73005800

未命名化合物

PRODUCTS

生成物

结构：COc1cc(F)c(C(C)C)cc1-c1ccc(C2CC2)cc1CN1C(=O)OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C

HCID73034738

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-22245b8eedeb4544820edee5a10b2010
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:51]1[O:52][CH2:53][CH2:54][O:55][CH2:56]1.[CH:42]1([B:45]([OH:46])[OH:47])[CH2:43][CH2:44]1.[Cl:57][Pd:58][Cl:59].[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH:14]([CH3:39])[N:15]([CH2:19][c:20]3[c:21](-[c:27]4[c:28]([O:37][CH3:38])[cH:29][c:30]([F:36])[c:31]([CH:33]([CH3:34])[CH3:35])[cH:32]4)[cH:22][cH:23][c:24]([Br:26])[cH:25]3)[C:16](=[O:18])[O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:40])[F:41].[K+:49].[OH-:48].[OH2:50]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH:14]([CH3:39])[N:15]([CH2:19][c:20]3[c:21](-[c:27]4[c:28]([O:37][CH3:38])[cH:29][c:30]([F:36])[c:31]([CH:33]([CH3:34])[CH3:35])[cH:32]4)[cH:22][cH:23][c:24]([CH:42]4[CH2:43][CH2:44]4)[cH:25]3)[C:16](=[O:18])[O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:40])[F:41]