HRID1136644

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID2734648

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C11H16BNO2

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

HCID57799411

未命名化合物

PRODUCTS

生成物

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

HCID57799422

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-168cf4553c89422f912b08af4cb838ff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[c:3]2[n:4]([cH:5][cH:6][c:7]1[Cl:8])[c:9](=[O:24])[n:10]([CH2:12][c:13]1[c:14]([CH3:23])[n:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]1)[n:11]2.[CH3:25][C:26]1([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31][B:32]([c:33]2[cH:34][cH:35][n:36][cH:37][cH:38]2)[O:39]1.[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45].[OH2:53]>>[c:2]1(-[c:33]2[cH:34][cH:35][n:36][cH:37][cH:38]2)[c:3]2[n:4]([cH:5][cH:6][c:7]1[Cl:8])[c:9](=[O:24])[n:10]([CH2:12][c:13]1[c:14]([CH3:23])[n:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]1)[n:11]2