HRID1142382

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID42647313

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

C11H19BN2O2

HCID42647316

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

C11H19BN2O2

结构：Cc1nn(C)cc1-c1cc(Oc2cc(F)c(N)cc2F)ccn1

HCID67398651

未命名化合物

HCID78358387

4-[(2-Chloro-4-pyridinyl)oxy]-2,5-difluorobenzenamine

C11H7ClF2N2O

PRODUCTS

生成物

结构：Cc1c(-c2cc(Oc3cc(F)c(N)cc3F)ccn2)cnn1C

HCID67411762

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98b42219ac6e495ba6c4f9df2e880178
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:50](=[O:51])([O-:52])[O-:53].[CH3:18][n:19]1[cH:20][c:21]([B:22]2[O:23][C:24]([CH3:25])([CH3:26])[C:27]([CH3:28])([CH3:29])[O:30]2)[c:31]([CH3:32])[n:33]1.[CH3:34][n:35]1[n:36][cH:37][c:38]([B:41]2[O:42][C:43]([CH3:44])([CH3:45])[C:46]([CH3:47])([CH3:48])[O:49]2)[c:39]1[CH3:40].[CH3:56][n:57]1[cH:58][c:59](-[c:60]2[cH:61][c:62]([O:63][c:64]3[c:65]([F:66])[cH:67][c:68]([NH2:69])[c:70]([F:71])[cH:72]3)[cH:73][cH:74][n:75]2)[c:76]([CH3:77])[n:78]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([O:8][c:9]2[cH:10][c:11]([F:17])[c:12]([NH2:13])[cH:14][c:15]2[F:16])[cH:7]1.[K+:54].[K+:55].[O:79]1[CH2:80][CH2:81][O:82][CH2:83][CH2:84]1.[OH2:85]>>[c:2]1(-[c:38]2[cH:37][n:36][n:35]([CH3:34])[c:39]2[CH3:40])[n:3][cH:4][cH:5][c:6]([O:8][c:9]2[cH:10][c:11]([F:17])[c:12]([NH2:13])[cH:14][c:15]2[F:16])[cH:7]1