HRID281601

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2756806

tert-Butyl methyl(piperidin-4-yl)carbamate

C11H22N2O2

结构：CC(=O)Nc1nc(C)c(-c2cc(S(=O)(=O)Cl)sc2Br)s1

HCID86623146

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1nc(C)c(-c2cc(S(=O)(=O)N3CCC(N(C)C(=O)OC(C)(C)C)CC3)sc2Br)s1

HCID86652444

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7abc834e6caa4fb8a9ca937ccd349dca
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])(=[O:3])[NH:4][c:5]1[s:6][c:7](-[c:11]2[cH:12][c:13]([S:17](=[O:18])(=[O:19])[Cl:20])[s:14][c:15]2[Br:16])[c:8]([CH3:10])[n:9]1.[C:28]([CH3:29])([CH3:30])([CH3:31])[O:32][C:33]([N:34]([CH:35]1[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]1)[CH3:41])=[O:42].[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[Cl:43][CH2:44][Cl:45]>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[s:6][c:7](-[c:11]2[cH:12][c:13]([S:17](=[O:18])(=[O:19])[N:38]3[CH2:37][CH2:36][CH:35]([N:34]([C:33]([O:32][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:42])[CH3:41])[CH2:40][CH2:39]3)[s:14][c:15]2[Br:16])[c:8]([CH3:10])[n:9]1