HRID1044719

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1

HCID208908

Lapatinib

C29H26ClFN4O4S

结构：CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1

HCID9941095

4-Methylbenzene-1-sulfonic acid--N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-[5-({[2-(methanesulfonyl)ethyl]amino}methyl)furan-2-yl]quinazolin-4-amine (2/1)

C43H42ClFN4O10S3

PRODUCTS

生成物

结构：CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.O

HCID11557040

未命名化合物

PROCEDURE

实验过程

A solution of lapatinib ditosylate was converted to its free base form, lapatinib, by washing a solution with aqueous NaOH followed by concentration. Lapatinib: 1H NMR (300 MHz, d6-DMSO): δ 2.98 (t, J=6.75 Hz, 1H), 3.04 (s, 1H), 3.29 (t, J=6.6 Hz, 1H), 3.83 (s, 1H), 5.28 (s, 1H), 6.50 (d, J=3.0 Hz, 1H), 7.08 (d, J=3.3 Hz, 1H), 7.20 (m, 1H), 7.33 (m, 4H), 7.48 (m, 1H), 7.76 (m, 1H), 7.80 (d, J=9 Hz, 1H), 8.04 (d, J=2.75 Hz, 1H), 8.17 (dd, J=8.7 Hz, J=1.8 Hz, 1H), 8.56 (s, 1H), 8.75 (d, J=1.8 Hz, 1H).

WORKUP

后处理

washby washing a solution with aqueous NaOH
concentrationfollowed by concentration

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1889594e5117454d8c6b77e90effc6eb
来源数据集: uspto-grants-2013_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08563719B2
来源说明: uspto-grants-2013_10

反应 SMILES

[S:1]([C:5]1[CH:11]=[CH:10][C:8]([CH3:9])=[CH:7][CH:6]=1)([OH:4])(=[O:3])=[O:2].[S:12]([C:16]1[CH:22]=[CH:21][C:19]([CH3:20])=[CH:18][CH:17]=1)([OH:15])(=[O:14])=[O:13].[Cl:23][C:24]1[CH:25]=[C:26]([NH:39][C:40]2[C:49]3[C:44](=[CH:45][CH:46]=[C:47]([C:50]4[O:51][C:52]([CH2:55][NH:56][CH2:57][CH2:58][S:59]([CH3:62])(=[O:61])=[O:60])=[CH:53][CH:54]=4)[CH:48]=3)[N:43]=[CH:42][N:41]=2)[CH:27]=[CH:28][C:29]=1[O:30][CH2:31][C:32]1[CH:37]=[CH:36][CH:35]=[C:34]([F:38])[CH:33]=1.CS(CCNCC1OC(C2C=CC3N=CN=C(NC4C=CC(OCC5C=CC=C(F)C=5)=C(Cl)C=4)C=3C=2)=CC=1)(=O)=[O:65]>>[CH3:9][C:8]1[CH:10]=[CH:11][C:5]([S:1]([OH:4])(=[O:3])=[O:2])=[CH:6][CH:7]=1.[CH3:20][C:19]1[CH:21]=[CH:22][C:16]([S:12]([OH:15])(=[O:14])=[O:13])=[CH:17][CH:18]=1.[CH3:62][S:59]([CH2:58][CH2:57][NH:56][CH2:55][C:52]1[O:51][C:50]([C:47]2[CH:46]=[CH:45][C:44]3[N:43]=[CH:42][N:41]=[C:40]([NH:39][C:26]4[CH:27]=[CH:28][C:29]([O:30][CH2:31][C:32]5[CH:37]=[CH:36][CH:35]=[C:34]([F:38])[CH:33]=5)=[C:24]([Cl:23])[CH:25]=4)[C:49]=3[CH:48]=2)=[CH:54][CH:53]=1)(=[O:61])=[O:60].[OH2:65]