HRID94480

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

HCID2760897

Cyclopropylboronic acid

C3H7BO2

结构：CC(C)c1ccc(Cl)c(-c2ccc(Br)cc2CN2C(=O)OC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2C)c1

HCID73005774

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1ccc(Cl)c(-c2ccc(C3CC3)cc2CN2C(=O)OC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2C)c1

HCID72995280

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce9fced53c464c1f82af833b767f2b73
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

[CH2:48]1[O:49][CH2:50][CH2:51][O:52][CH2:53]1.[CH:40]1([B:43]([OH:44])[OH:45])[CH2:41][CH2:42]1.[Cl:54][Pd:55][Cl:56].[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH:14]([CH3:37])[N:15]([CH2:19][c:20]3[c:21](-[c:27]4[c:28]([Cl:36])[cH:29][cH:30][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:38])[F:39].[K+:47].[OH-:46]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH:14]([CH3:37])[N:15]([CH2:19][c:20]3[c:21](-[c:27]4[c:28]([Cl:36])[cH:29][cH:30][c:31]([CH:33]([CH3:34])[CH3:35])[cH:32]4)[cH:22][cH:23][c:24]([CH:40]4[CH2:41][CH2:42]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:38])[F:39]