HRID1481904

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7009590

未命名化合物

结构：N#Cc1ccccc1-n1nc(CN2C(=O)[C@@H](N)CNc3ccccc32)c2ccccc21.O=C(O)C(F)(F)F

HCID90220365

未命名化合物

结构：COc1ccc2c(Br)cccc2c1CN1C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)CNc2ccccc21

HCID90220831

未命名化合物

2 次

PRODUCTS

生成物

结构：C[C@@H](C(=O)N[C@H]1CNc2ccccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O)N(C)C(=O)OC(C)(C)C

HCID90220958

未命名化合物

收率 72.8%

PROCEDURE

实验过程

In a similar manner to that described for the preparation of {(S)-1-[(S)-1-(5-bromo-2-methoxy-naphthalen-1-ylmethyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-ylcarbamoyl]-ethyl}-methyl-carbamic acid tert-butyl ester (Intermediate 12), 2-[3-((S)-3-amino-2-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-ylmethyl)-indazol-1-yl]-benzonitrile trifluoroacetate (step 1 above) (680 mg, 1.30 mmol) and Boc-N-Me-Ala-OH (290.88 mg, 1.43 mmol) were converted to the title compound (570 mg, 72.8%) obtained as white solid. LC-MS: 594 (M+H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-18b3d9d10fb0473ea6624ada7f463489
来源数据集: uspto-grants-2016_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09409888B2
来源说明: uspto-grants-2016_08

反应 SMILES

[C:1]([O:5][C:6](=[O:40])[N:7]([C@H:9]([C:11](=[O:39])[NH:12][C@@H:13]1[C:19](=[O:20])[N:18]([CH2:21][C:22]2C3C(=C(Br)C=CC=3)C=[CH:24][C:23]=2OC)[C:17]2[CH:35]=[CH:36][CH:37]=[CH:38][C:16]=2[NH:15][CH2:14]1)[CH3:10])[CH3:8])([CH3:4])([CH3:3])[CH3:2].FC(F)(F)C(O)=O.N[C@@H]1C(=O)N(CC2C3[C:61](=[CH:62][CH:63]=[CH:64]C=3)[N:60]([C:67]3[CH:74]=[CH:73][CH:72]=[CH:71][C:68]=3[C:69]#[N:70])[N:59]=2)C2C=CC=CC=2NC1.N(C(OC(C)(C)C)=O)(C)[C@H](C(O)=O)C>>[C:1]([O:5][C:6](=[O:40])[N:7]([C@H:9]([C:11](=[O:39])[NH:12][C@@H:13]1[C:19](=[O:20])[N:18]([CH2:21][C:22]2[C:23]3[C:61](=[CH:62][CH:63]=[CH:64][CH:24]=3)[N:60]([C:67]3[CH:74]=[CH:73][CH:72]=[CH:71][C:68]=3[C:69]#[N:70])[N:59]=2)[C:17]2[CH:35]=[CH:36][CH:37]=[CH:38][C:16]=2[NH:15][CH2:14]1)[CH3:10])[CH3:8])([CH3:2])([CH3:4])[CH3:3]