HRID175301

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15087784

tert-Butyl 2-methylpiperazine-1-carboxylate

C10H20N2O2

结构：O=c1c2ccc(Br)cc2c(CBr)cn1S(=O)(=O)c1ccccc1

HCID67130330

未命名化合物

PRODUCTS

生成物

结构：CC1CN(Cc2cn(S(=O)(=O)c3ccccc3)c(=O)c3ccc(Br)cc23)CCN1C(=O)OC(C)(C)C

HCID178430434

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-501cc107ff67470bb73020daacb24b5a
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:15][c:16]1[cH:17][c:18]2[c:19]([CH2:36][Br:37])[cH:20][n:21]([S:27](=[O:28])(=[O:29])[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[c:22](=[O:26])[c:23]2[cH:24][cH:25]1.[CH3:1][CH:2]1[N:3]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:4][CH2:5][NH:6][CH2:7]1>>[CH3:1][CH:2]1[N:3]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:4][CH2:5][N:6]([CH2:36][c:19]2[c:18]3[cH:17][c:16]([Br:15])[cH:25][cH:24][c:23]3[c:22](=[O:26])[n:21]([S:27](=[O:28])(=[O:29])[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[cH:20]2)[CH2:7]1