HRID1126001

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID63872532

3,5-Dimethyl-1-(methylsulfonyl)piperazine

C7H16N2O2S

结构：CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CBr)n(C)c2n1

HCID67492214

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3C(C)CN(S(C)(=O)=O)CC3C)n(C)c2n1

HCID72336871

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-14dd714fc58c4e9f8de203d49b5e6c10
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:2][CH2:3][c:4]1[n:5]([CH3:30])[c:6]2[n:7][c:8](-[n:19]3[c:20]([CH2:28][CH3:29])[n:21][c:22]4[c:23]3[cH:24][cH:25][cH:26][cH:27]4)[n:9][c:10]([N:13]3[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)[c:11]2[n:12]1.[BrH:1].[CH3:31][S:32](=[O:33])(=[O:34])[N:35]1[CH2:36][CH:37]([CH3:42])[NH:38][CH:39]([CH3:41])[CH2:40]1.[K+:43].[K+:44].[O-:45][C:46]([O-:47])=[O:48].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[CH2:3]([c:4]1[n:5]([CH3:30])[c:6]2[n:7][c:8](-[n:19]3[c:20]([CH2:28][CH3:29])[n:21][c:22]4[c:23]3[cH:24][cH:25][cH:26][cH:27]4)[n:9][c:10]([N:13]3[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)[c:11]2[n:12]1)[N:38]1[CH:37]([CH3:42])[CH2:36][N:35]([S:32]([CH3:31])(=[O:33])=[O:34])[CH2:40][CH:39]1[CH3:41]