HRID94977

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19660

Carbonate

CO3-2

HCID53167

1-Methylpiperazine

C5H12N2

HCID104967

Cesium(1+)

Cs+

2 次

结构：COc1ccc(N2CCCCC2)c2sc(NC(=O)c3ccnc(Br)c3)nc12

HCID22993390

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N2CCCCC2)c2sc(NC(=O)c3ccnc(N4CCN(C)CC4)c3)nc12

HCID22993412

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-636c413477984a1faba44883664ff1db
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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