HRID2046940

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1

HCID17749917

tert-Butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperazine-1-carboxylate

C22H33BN2O5

结构：CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)n1cc([C@H](C)c2c(Cl)ccc(F)c2Cl)c2cc(Br)cnc21

HCID58431443

未命名化合物

PRODUCTS

生成物

结构：C[C@H](c1c(Cl)ccc(F)c1Cl)c1c[nH]c2ncc(-c3ccc(C(=O)N4CCNCC4)cc3)cc12

HCID67363617

未命名化合物

PROCEDURE

实验过程

Example 69 was synthesized according to Suzuki coupling method described above for synthesis of example 66, using ((S)-1-{5-Bromo-3-[(S)-1-(2,6-dichloro-3-fluorophenyl)ethyl]pyrrolo[2,3-b]pyridine-1-carbonyl}-3-methylbutyl)carbamic acid 9H-fluoren-9-ylmethyl ester and 4-[4-(4,4,5,5-Tetramethyl[1,3,2]dioxaborolan-2-yl)benzoyl]piperazine-1-carboxylic acid tert-butyl ester. The crude material was purified by HPLC. MS (ES+): m/z=497.24, 499.25 (100, 69) [MH+]. HPLC: tR=0.72 min (HPLC-ACQUITY, Purity).

WORKUP

后处理

customExample 69 was synthesized
customdescribed above for synthesis of example 66
customThe crude material was purified by HPLC

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec8ce877a2024d98bada151e98af5fe6
来源数据集: uspto-grants-2013_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08592448B2
来源说明: uspto-grants-2013_11

反应 SMILES

C1C2C(COC(=O)N[C@H](C([N:25]3[C:29]4=[N:30][CH:31]=[C:32](Br)[CH:33]=[C:28]4[C:27]([C@@H:35]([C:37]4[C:42]([Cl:43])=[CH:41][CH:40]=[C:39]([F:44])[C:38]=4[Cl:45])[CH3:36])=[CH:26]3)=O)CC(C)C)C3C(=CC=CC=3)C=2C=CC=1.C(OC([N:54]1[CH2:59][CH2:58][N:57]([C:60](=[O:76])[C:61]2[CH:66]=[CH:65][C:64](B3OC(C)(C)C(C)(C)O3)=[CH:63][CH:62]=2)[CH2:56][CH2:55]1)=O)(C)(C)C>>[Cl:45][C:38]1[C:39]([F:44])=[CH:40][CH:41]=[C:42]([Cl:43])[C:37]=1[C@H:35]([C:27]1[C:28]2[C:29](=[N:30][CH:31]=[C:32]([C:64]3[CH:63]=[CH:62][C:61]([C:60]([N:57]4[CH2:58][CH2:59][NH:54][CH2:55][CH2:56]4)=[O:76])=[CH:66][CH:65]=3)[CH:33]=2)[NH:25][CH:26]=1)[CH3:36]