HRID202633

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

3 次

HCID1342

1-(Naphthalen-1-yl)piperazine

C14H16N2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID794886

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(-c2ccc(CCN3CCN(c4cccc5ccccc45)CC3)cc2)cs1

HCID14726992

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9f6ebf6000445ed93cb9646c24ef1d5
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

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