HRID292315

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID53167

1-Methylpiperazine

C5H12N2

结构：COc1ccccc1Oc1c(Cl)nc(Cl)nc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1

HCID86753872

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1Oc1c(Cl)nc(N2CCN(C)CC2)nc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1

HCID86753875

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d0011cea06a4749910fba32322196cd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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