HRID2237662

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11801

5-(Dimethylamino)-1-naphthalenesulfonyl chloride

C12H12ClNO2S

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(N)c(NS(=O)(=O)c3ccccc3)c2)CC1

HCID22272479

未命名化合物

PRODUCTS

生成物

结构：CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(N4CCNCC4)cc3NS(=O)(=O)c3ccccc3)cccc12

HCID10120539

未命名化合物

PROCEDURE

实验过程

5-(Dimethylamino)-N-{4-(1-piperazinyl)-2-[(phenylsulfonyl)amino]phenyl}-1-naphthalenesulfonamide was synthesized from N-{2-amino-5-(4-t-butyloxycarbonyl-piperazinyl)-phenyl}benzenesulfonamide and dansylchloride (64 mg, 0.239 mmol) according to general method 3 to give 60 mg of a purple solid. MS (posES-FIA) m/z=Found: 566.3; Calcd: 566.18; 1H NMR δ 8.84 (d, 1H), 8.60 (d, 1H), 8.08 (d, 2H), 7.84-7.47 (m, 7H), 6.70 (d, 1H), 6.56-6.53 (m, 1H), 6.41-6.37 (m, 1H), 3.46 (s, 6H), 3.25-3.12 (m, 8H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8bcc473b14e640038317fbf67e7e9a31
来源数据集: uspto-grants-2010_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07718650B2
来源说明: uspto-grants-2010_05

反应 SMILES

[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[CH2:13][CH2:12][N:11](C(OC(C)(C)C)=O)[CH2:10][CH2:9]2)=[CH:4][C:3]=1[NH:21][S:22]([C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1)(=[O:24])=[O:23].[S:31](Cl)([C:34]1[C:46]2[CH:45]=[CH:44][CH:43]=[C:39]([N:40]([CH3:42])[CH3:41])[C:38]=2[CH:37]=[CH:36][CH:35]=1)(=[O:33])=[O:32]>>[CH3:41][N:40]([CH3:42])[C:39]1[CH:43]=[CH:44][CH:45]=[C:46]2[C:38]=1[CH:37]=[CH:36][CH:35]=[C:34]2[S:31]([NH:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)=[CH:4][C:3]=1[NH:21][S:22]([C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1)(=[O:23])=[O:24])(=[O:33])=[O:32]