HRID879430

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：Cc1cc2nc(-c3ccnc(N4CCOCC4)c3)sc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)O

HCID86700234

未命名化合物

反应SMILES：CN1CCN(c2ccccn2)CC1.OB(O)c1ccncc1

HCID86700237

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1cc2nc(-c3ccnc(N4CCN(C)CC4)c3)sc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)O

HCID86700236

未命名化合物

PROCEDURE

实验过程

Prepared in a manner similar to (S)-2-tert-butoxy-2-(7-(4-chlorophenyl)-5-methyl-2-(2-morpholinopyridin-4-yl)benzo[d]thiazol-6-yl)acetic acid except 2-(4-methylpiperazino)pyridine-4-pyridine boronic acid using instead of 2-morpholinopyridine-4-boronic acid. LCMS-ESI+: calc'd for C30H34ClN3O3S: 565.2 (M+H+); Found: 565.3 (M+H+); 1H NMR (400 MHz, CD3OD) δ 8.30 (d, J=4.8 Hz, 1H), 7.89 (s, 1H), 7.68 (d, J=8.9 Hz, 1H), 7.64-7.47 (m, 4H), 7.34 (d, J=5.1 Hz, 1H), 5.26 (s, 1H), 4.77-4.38 (m, 2H), 3.78-3.04 (m, 2H), 2.97 (s, 3H), 2.62 (s, 3H), 0.97 (s, 9H).

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f3fcb71e777747e2b367bf60bea76292
来源数据集: uspto-grants-2015_03
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US08987250B2
来源说明: uspto-grants-2015_03

反应SMILES

[C:1]([O:5][C@@H:6]([C:10]1[C:30]([CH3:31])=[CH:29][C:13]2[N:14]=[C:15]([C:17]3[CH:22]=[CH:21][N:20]=[C:19]([N:23]4[CH2:28][CH2:27]O[CH2:25][CH2:24]4)[CH:18]=3)[S:16][C:12]=2[C:11]=1[C:32]1[CH:37]=[CH:36][C:35]([Cl:38])=[CH:34][CH:33]=1)[C:7]([OH:9])=[O:8])([CH3:4])([CH3:3])[CH3:2].[CH3:39][N:40]1CCN(C2C=CC=CN=2)CC1.N1C=CC(B(O)O)=CC=1>>[C:1]([O:5][C@@H:6]([C:10]1[C:30]([CH3:31])=[CH:29][C:13]2[N:14]=[C:15]([C:17]3[CH:22]=[CH:21][N:20]=[C:19]([N:23]4[CH2:28][CH2:27][N:40]([CH3:39])[CH2:25][CH2:24]4)[CH:18]=3)[S:16][C:12]=2[C:11]=1[C:32]1[CH:33]=[CH:34][C:35]([Cl:38])=[CH:36][CH:37]=1)[C:7]([OH:9])=[O:8])([CH3:3])([CH3:2])[CH3:4]