HRID165155

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID16028

Tetrabutylammonium

C16H36N+

HCID61778

Bisulfate anion

HO4S-

HCID123057

1-(Bromomethyl)-2-(trifluoromethyl)benzene

C8H6BrF3

HCID184361

2H-Acridin-1-one, 9-amino-3,4-dihydro-

C13H12N2O

PRODUCTS

生成物

结构：O=C1CCCc2nc3ccccc3c(NCc3ccccc3C(F)(F)F)c21

HCID13935138

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ec1e28041244c578f1e6dc3b9e42ddb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:43]([N+:44]([CH2:45][CH2:46][CH2:47][CH3:48])([CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH2:58][CH3:59].[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[F:19][C:20]([c:21]1[c:22]([CH2:23][Br:24])[cH:25][cH:26][cH:27][cH:28]1)([F:29])[F:30].[K+:2].[NH2:3][c:4]1[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]2[n:11][c:12]2[c:17]1[C:16](=[O:18])[CH2:15][CH2:14][CH2:13]2.[OH-:1].[S:38]([O-:39])([OH:40])(=[O:41])=[O:42]>>[NH:3]([c:4]1[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]2[n:11][c:12]2[c:17]1[C:16](=[O:18])[CH2:15][CH2:14][CH2:13]2)[CH2:23][c:22]1[c:21]([C:20]([F:19])([F:29])[F:30])[cH:28][cH:27][cH:26][cH:25]1