HRID2349818

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID8071

未命名化合物

HCID45158880

[2-(Trifluoromethyl)pyridin-4-yl]boronic acid

C6H5BF3NO2

结构：O=C(c1ccc(Oc2nccnc2Cl)cc1)c1nc2ccccc2[nH]1

HCID46207940

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc(Oc2nccnc2-c2ccnc(C(F)(F)F)c2)cc1)c1nc2ccccc2[nH]1

HCID46207696

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6771c5515f1a400fb96d803f2569c3b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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