HRID316528

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID2773987

1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C10H17BN2O2

HCID53436880

Methyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate

C9H7F3INO2

PRODUCTS

生成物

结构：COC(=O)c1cc(-c2cnn(C)c2)c(C(F)(F)F)cc1N

HCID11965540

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ed4a28d7af44cc699b71c2b88bb2897
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:17][n:18]1[n:19][cH:20][c:21]([B:23]2[O:24][C:25]([CH3:26])([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31]2)[cH:22]1.[CH3:1][O:2][C:3]([c:4]1[c:5]([NH2:15])[cH:6][c:7]([C:11]([F:12])([F:13])[F:14])[c:8]([I:10])[cH:9]1)=[O:16].[K+:32].[K+:33].[O-:34][C:35]([O-:36])=[O:37].[O:57]1[CH2:58][CH2:59][O:60][CH2:61][CH2:62]1.[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[CH3:1][O:2][C:3]([c:4]1[c:5]([NH2:15])[cH:6][c:7]([C:11]([F:12])([F:13])[F:14])[c:8](-[c:21]2[cH:20][n:19][n:18]([CH3:17])[cH:22]2)[cH:9]1)=[O:16]