HRID94412

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

HCID3702122

4-Acetylphenylboronic acid

C8H9BO3

结构：O=c1n(Cc2ccc(C(F)(F)F)nc2)nc2c(Br)c(-c3ccc(Cl)cc3)ccn12

HCID57799465

未命名化合物

PRODUCTS

生成物

结构：CC(=O)c1ccc(-c2c(-c3ccc(Cl)cc3)ccn3c(=O)n(Cc4ccc(C(F)(F)F)nc4)nc23)cc1

HCID16005163

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c521af8c89e94861aae75f66175c0fa2
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

[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:29])[n:16]([CH2:18][c:19]1[cH:20][n:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]1)[n:17]2.[C:30]([CH3:31])(=[O:32])[c:33]1[cH:34][cH:35][c:36]([B:39]([OH:40])[OH:41])[cH:37][cH:38]1.[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[K+:47].[K+:48].[K+:49].[P:42]([O-:43])([O-:44])([O-:45])=[O:46]>>[c:2]1(-[c:36]2[cH:35][cH:34][c:33]([C:30]([CH3:31])=[O:32])[cH:38][cH:37]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:29])[n:16]([CH2:18][c:19]1[cH:20][n:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]1)[n:17]2