HRID531260

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CSc1ncc(B2OC(C)(C)C(C)(C)O2)c(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)n1

HCID90009110

未命名化合物

结构：COC(=O)c1cc(C)c(-c2cnc(OC)c(-c3cnc(SC)nc3CN3C(=O)O[C@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H]3C)c2)c(C)c1

HCID118021675

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(-c2cnc(OC)c(-c3cnc(SC)nc3CN3C(=O)O[C@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H]3C)c2)c(C)c1

HCID118021569

未命名化合物

PROCEDURE

实验过程

INTERMEDIATE 45 was prepared similarly to INTERMEDIATE 43 by combining INTERMEDIATE 21 and INTERMEDIATE 34 to give the title compound. 1H NMR (CDCl3, 500 MHz): δ 8.38 (s, 1H), 8.26 (d, 1H), 7.98 (s, 1H), 7.93 (d, 1H), 7.88 (s, 1H), 7.74 (s, 2H), 7.51 (d, 1H), 7.32 (d, 1H), 5.71 (d, 1H), 4.82 (d, 1H), 4.43 (br, 1H), 4.10 (m, 1H), 4.01 (s, 3H), 3.93 (s, 3H), 2.62 (s, 3H), 2.38 (s, 3H), 0.75 (d, 3H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bbc0ae17f65c4caebfe50374b1a33f24
来源数据集: uspto-grants-2016_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09353101B2
来源说明: uspto-grants-2016_05

反应 SMILES

[F:1][C:2]([F:50])([F:49])[C:3]1[CH:4]=[C:5]([C@H:13]2[O:17][C:16](=[O:18])[N:15]([CH2:19][C:20]3[C:25]([C:26]4[CH:27]=[C:28]([C:34]5[C:43](C)=[CH:42][C:37]([C:38]([O:40][CH3:41])=[O:39])=[CH:36][C:35]=5[CH3:45])[CH:29]=[N:30][C:31]=4[O:32][CH3:33])=[CH:24][N:23]=[C:22]([S:46][CH3:47])[N:21]=3)[C@H:14]2[CH3:48])[CH:6]=[C:7]([C:9]([F:12])([F:11])[F:10])[CH:8]=1.FC(F)(F)C1C=C([C@H]2OC(=O)N(CC3C(B4OC(C)(C)C(C)(C)O4)=CN=C(SC)N=3)[C@H]2C)C=C(C(F)(F)F)C=1>>[F:50][C:2]([F:1])([F:49])[C:3]1[CH:4]=[C:5]([C@H:13]2[O:17][C:16](=[O:18])[N:15]([CH2:19][C:20]3[C:25]([C:26]4[CH:27]=[C:28]([C:34]5[CH:43]=[CH:42][C:37]([C:38]([O:40][CH3:41])=[O:39])=[CH:36][C:35]=5[CH3:45])[CH:29]=[N:30][C:31]=4[O:32][CH3:33])=[CH:24][N:23]=[C:22]([S:46][CH3:47])[N:21]=3)[C@H:14]2[CH3:48])[CH:6]=[C:7]([C:9]([F:12])([F:11])[F:10])[CH:8]=1