HRID849409

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9845

Trifluoroacetic anhydride

C4F6O3

HCID11915

Phenylglyoxylic acid

C8H6O3

结构：CC(C)(C)OC(=O)n1cnc(CN2C[C@@H](Cc3ccccc3)N(S(C)(=O)=O)Cc3cc(C#N)ccc32)c1

HCID69841490

未命名化合物

结构：Cl.O=C(c1cccc2ccccc12)N1CCN(Cc2c[nH]cn2)c2ccc(Br)cc2C1

HCID178479667

未命名化合物

2 次

PRODUCTS

生成物

结构：Cl.Cl.Cl.O=C(C(=O)N1CCN(Cc2c[nH]cn2)c2ccc(-c3ccncc3)cc2C1)c1ccccc1

HCID178478618

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

Example 297 was prepared as a yellow solid from 7-bromo-1,4-benzodiazepine (see Example 11) and benzoylformic acid by the following sequence: Example 252, in 10:1 methylene chloride:DMF and with chromatography with 50% EtOAc/hexanes; treatment with trifluoracetic anhydride and workup as described in Compound A of Example 296; Compounds B, C and D of Example 296. M+H (438).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13b4bbc25bfa4396bc3a4642ee01562c
来源数据集: uspto-grants-2000_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06011029
来源说明: uspto-grants-2000_01

反应 SMILES

[ClH:1].Br[C:3]1[CH:4]=[CH:5][C:6]2[N:12]([CH2:13][C:14]3[N:15]=[CH:16][NH:17][CH:18]=3)[CH2:11][CH2:10][N:9]([C:19]([C:21]3[C:30]4[C:25](=[CH:26][CH:27]=[CH:28][CH:29]=4)C=CC=3)=[O:20])[CH2:8][C:7]=2[CH:31]=1.C(C(O)=O)(=[O:39])C1C=CC=CC=1.FC(F)(F)C(OC(=O)C(F)(F)F)=O.C(C1C=CC2[N:67](CC3N=CN(C(OC(C)(C)C)=O)C=3)[CH2:66][C@@H:65]([CH2:81][C:82]3[CH:87]=CC=CC=3)N(S(C)(=O)=O)CC=2C=1)#N>CN(C=O)C.C(Cl)Cl>[ClH:1].[ClH:1].[ClH:1].[NH:17]1[CH:18]=[C:14]([CH2:13][N:12]2[C:6]3[CH:5]=[CH:4][C:3]([C:81]4[CH:65]=[CH:66][N:67]=[CH:87][CH:82]=4)=[CH:31][C:7]=3[CH2:8][N:9]([C:19](=[O:20])[C:21]([C:30]3[CH:25]=[CH:26][CH:27]=[CH:28][CH:29]=3)=[O:39])[CH2:10][CH2:11]2)[N:15]=[CH:16]1