HRID724620

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21878638

2-tert-Butyl-5-chloro-1H-1lambda~6~,2-thiazole-1,1,3(2H)-trione

C7H10ClNO3S

结构：COc1ccc(CN2CCc3cc(B(O)O)sc3C2CNC(=O)OC(C)(C)C)cc1.O=C(O)C(F)(F)F

HCID69597751

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2CCc3cc(C4=CC(=O)N(C(C)(C)C)S4(=O)=O)sc3C2CNC(=O)OC(C)(C)C)cc1.O=C(O)C(F)(F)F

HCID69597800

未命名化合物

PROCEDURE

实验过程

This compound was prepared according to the procedure of Example 1.1, Step 4, using 9-A and 4.11-C as the starting materials. 1H NMR (500 MHz, CDCl3): δ 7.56 (s, 1H), 7.36 (d, J=8.4 Hz, 2H), 6.96 (d, J=8.4 Hz, 2H), 6.46 (s, 1H), 4.75–4.65 (m, 1H), 4.58–4.50 (m, 1H), (m, 1H), 4.08–4.00 (m, 1H), 3.83 (s, 3H), 3.80–3.65 (m, 3H), 3.55–3.48 (m, 1H), 3.18–3.10 (m, 2H), 1.75 (s, 9H), 1.36 (s, 9H); LCMS found for C28H38N3O6S2 (M+H)+: m/z=576.

WORKUP

后处理

customThis compound was prepared

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4d33e4879a84d3d990ed9dd8718c865
来源数据集: uspto-grants-2006_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07141596B2
来源说明: uspto-grants-2006_11

反应 SMILES

[C:1]([N:5]1[C:9](=[O:10])[CH:8]=[C:7](Cl)[S:6]1(=[O:13])=[O:12])([CH3:4])([CH3:3])[CH3:2].[F:14][C:15]([F:20])([F:19])[C:16]([OH:18])=[O:17].[C:21]([O:25][C:26]([NH:28][CH2:29][CH:30]1[C:35]2[S:36][C:37](B(O)O)=[CH:38][C:34]=2[CH2:33][CH2:32][N:31]1[CH2:42][C:43]1[CH:48]=[CH:47][C:46]([O:49][CH3:50])=[CH:45][CH:44]=1)=[O:27])([CH3:24])([CH3:23])[CH3:22]>>[F:14][C:15]([F:20])([F:19])[C:16]([OH:18])=[O:17].[C:21]([O:25][C:26](=[O:27])[NH:28][CH2:29][CH:30]1[C:35]2[S:36][C:37]([C:7]3[S:6](=[O:13])(=[O:12])[N:5]([C:1]([CH3:4])([CH3:3])[CH3:2])[C:9](=[O:10])[CH:8]=3)=[CH:38][C:34]=2[CH2:33][CH2:32][N:31]1[CH2:42][C:43]1[CH:44]=[CH:45][C:46]([O:49][CH3:50])=[CH:47][CH:48]=1)([CH3:24])([CH3:23])[CH3:22]