HRID203511

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8150

Diethylene glycol dimethyl ether

C6H14O3

HCID754229

2-[4-[(3-Bromophenyl)methyl]-1-piperazinyl]pyrimidine

C15H17BrN4

HCID2734389

4-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：FC(F)(F)c1ccc(-c2cccc(CN3CCN(c4ncccn4)CC3)c2)cc1

HCID21186106

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0115cac657cd48359fc6a28cdd704243
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

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