HRID195527

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

3 次

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID16028

Tetrabutylammonium

C16H36N+

3 次

HCID19660

Carbonate

CO3-2

HCID9794006

2-(4,5-Dihydro-3-isoxazolyl)-3-methylbenzenamine

C10H12N2O

PRODUCTS

生成物

HCID9813747

Benzenamine, 4-bromo-2-(4,5-dihydro-3-isoxazolyl)-3-methyl-

C10H11BrN2O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b11859caa8c430eadd7178fe8f83eac
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-:20].[Br-:21].[Br-:22].[C:14](=[O:15])([O-:16])[O-:17].[CH2:23]([N+:24]([CH2:25][CH2:26][CH2:27][CH3:28])([CH2:29][CH2:30][CH2:31][CH3:32])[CH2:33][CH2:34][CH2:35][CH3:36])[CH2:37][CH2:38][CH3:39].[CH2:40]([N+:41]([CH2:42][CH2:43][CH2:44][CH3:45])([CH2:46][CH2:47][CH2:48][CH3:49])[CH2:50][CH2:51][CH2:52][CH3:53])[CH2:54][CH2:55][CH3:56].[CH2:57]([N+:58]([CH2:59][CH2:60][CH2:61][CH3:62])([CH2:63][CH2:64][CH2:65][CH3:66])[CH2:67][CH2:68][CH2:69][CH3:70])[CH2:71][CH2:72][CH3:73].[CH3:74][C:75]#[N:76].[K+:18].[K+:19].[O:1]1[N:2]=[C:3]([c:6]2[c:7]([NH2:8])[cH:9][cH:10][cH:11][c:12]2[CH3:13])[CH2:4][CH2:5]1>>[O:1]1[N:2]=[C:3]([c:6]2[c:7]([NH2:8])[cH:9][cH:10][c:11]([Br:20])[c:12]2[CH3:13])[CH2:4][CH2:5]1