HRID2170366

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：NC(=O)c1cc(-c2cc(N3C(=O)c4ccccc4C3=O)cnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)ccc1F

HCID90281315

未命名化合物

结构：NC(=O)c1cc(-c2cc(N3C(=O)c4ccccc4C3=O)cnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2C(F)(F)[C@@H]2C[C@H]32)ccc1F

HCID90281451

未命名化合物

PRODUCTS

生成物

结构：NC(=O)c1cc(-c2cc(N)cnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)ccc1F

HCID90281328

未命名化合物

PROCEDURE

实验过程

Compound 33 was prepared according to the method presented in the synthesis of Example 31 substituting compound 32 for compound 30K. 1H NMR (400 MHz, CD3OD) δ 8.08 (d, 1H), 7.39 (m, 2H), 7.28-7.17 (m, 1H), 7.14 (d, 1H), 7.00-6.60 (m, 2H), 6.37 (m, 2H), 5.19-5.01 (m, 3H), 3.12 (m, 1H), 2.99 (m, 1H), 2.66-2.34 (m, 4H). MS (m/z) 671.01 [M+H]+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-576dad1c21f041b19d4fdad8a1e4c384
来源数据集: uspto-grants-2015_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09050344B2
来源说明: uspto-grants-2015_06

反应 SMILES

[F:1][CH:2]([F:57])[C:3]1[C:11]2[C:10]([F:13])([F:12])[CH2:9][CH2:8][C:7]([F:15])([F:14])[C:6]=2[N:5]([CH2:16][C:17]([NH:19][C@H:20]([C:30]2[C:35]([C:36]3[CH:37]=[CH:38][C:39]([F:45])=[C:40]([CH:44]=3)[C:41]([NH2:43])=[O:42])=[CH:34][C:33]([N:46]3C(=O)C4C(=CC=CC=4)C3=O)=[CH:32][N:31]=2)[CH2:21][C:22]2[CH:27]=[C:26]([F:28])[CH:25]=[C:24]([F:29])[CH:23]=2)=[O:18])[N:4]=1.FC1(F)C2N(CC(N[C@H](C3C(C4C=CC(F)=C(C=4)C(N)=O)=CC(N4C(=O)C5C(=CC=CC=5)C4=O)=CN=3)CC3C=C(F)C=C(F)C=3)=O)N=C(C(F)(F)F)C=2[C@H]2C[C@@H]12>>[NH2:46][C:33]1[CH:34]=[C:35]([C:36]2[CH:37]=[CH:38][C:39]([F:45])=[C:40]([CH:44]=2)[C:41]([NH2:43])=[O:42])[C:30]([C@@H:20]([NH:19][C:17](=[O:18])[CH2:16][N:5]2[C:6]3[C:7]([F:14])([F:15])[CH2:8][CH2:9][C:10]([F:12])([F:13])[C:11]=3[C:3]([CH:2]([F:1])[F:57])=[N:4]2)[CH2:21][C:22]2[CH:23]=[C:24]([F:29])[CH:25]=[C:26]([F:28])[CH:27]=2)=[N:31][CH:32]=1