HRID950012

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID44754772

[3,5-Difluoro-4-(hydroxymethyl)phenyl]boronic acid

C7H7BF2O3

结构：Cc1nc(C(F)(F)F)ccc1Cn1nc2c(Br)c(-c3ccc(Cl)cc3)ccn2c1=O

HCID57799405

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(C(F)(F)F)ccc1Cn1nc2c(-c3cc(F)c(CO)c(F)c3)c(-c3ccc(Cl)cc3)ccn2c1=O

HCID16005201

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49eedae7bbe84fd4a3349d01ea6c5e1b
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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