HRID942633

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

HCID3723812

4-(Methoxymethyl)phenylboronic acid

C8H11BO3

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：COCc1ccc(-c2c(-c3ccc(Cl)cc3)ccn3c(=O)n(Cc4ccc(C(F)(F)F)nc4C)nc23)cc1

HCID16005200

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa1fc7a182684eac907a648505a96c2e
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.[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:31][O:32][CH2:33][c:34]1[cH:35][cH:36][c:37]([B:40]([OH:41])[OH:42])[cH:38][cH:39]1.[CH3:56][CH2:57][O:58][C:59]([CH3:60])=[O:61].[K+:48].[K+:49].[K+:50].[P:43]([O-:44])([O-:45])([O-:46])=[O:47]>>[c:2]1(-[c:37]2[cH:36][cH:35][c:34]([CH2:33][O:32][CH3:31])[cH:39][cH:38]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