HRID204580

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID285645

4-Fluorophenylboronic acid

C6H6BFO2

结构：Cc1nc(C(F)(F)F)ccc1Cn1nc2c(-c3ccncc3)c(Cl)ccn2c1=O

HCID57799422

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(C(F)(F)F)ccc1Cn1nc2c(-c3ccncc3)c(-c3ccc(F)cc3)ccn2c1=O

HCID16004907

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d27da2f832954c15b44bcb4809a78ac0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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