HRID34180

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

HCID81531

Diisopropylethylamine

C8H19N

HCID2756058

Tert-butyl 1,4-diazepane-1-carboxylate

C10H20N2O2

结构：CN(C)C(Oc1c(F)c(F)c(F)c(F)c1F)=[N+](C)C.F[P-](F)(F)(F)(F)F

HCID15840204

(Dimethylamino)-N,N-dimethyl(pentafluorophenoxy)methaniminium hexafluorophosphate

C11H12F11N2OP

结构：CC(Nc1ncnc2cc(C(=O)O)c(Cl)cc12)c1nc2cc(Cl)ccc2[nH]1

HCID178463504

未命名化合物

PRODUCTS

生成物

结构：CC(Nc1ncnc2cc(C(=O)N3CCCNCC3)c(Cl)cc12)c1nc2cc(Cl)ccc2[nH]1

HCID178463494

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID679

Dimethyl sulfoxide

C2H6OS

PROCEDURE

实验过程

Prepared analogously to Example 37a from 6-chloro-4-[1-(5-chloro-1H-benzimidazol-2-yl)-ethylamino]-7-hydroxycarbonyl-quinazoline, pentafluorophenyl-tetramethyluronium-hexafluorophosphate (PFTU), diisopropylethylamine and 1-tert.-butyloxycarbonyl-[1,4]diazepan in DMSO at ambient temperature and subsequent treatment with trifluoroacetic acid.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4a2a4eb26774a6d87b18d17724bb7d1
来源数据集: uspto-grants-2008_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07429597B2
来源说明: uspto-grants-2008_09

反应 SMILES

[Cl:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][C:11]=1[C:12]([OH:14])=O)[N:8]=[CH:7][N:6]=[C:5]2[NH:15][CH:16]([C:18]1[NH:22][C:21]2[CH:23]=[CH:24][C:25]([Cl:27])=[CH:26][C:20]=2[N:19]=1)[CH3:17].FC1C(OC(N(C)C)=[N+](C)C)=C(F)C(F)=C(F)C=1F.F[P-](F)(F)(F)(F)F.C(N(C(C)C)CC)(C)C.C(OC([N:70]1[CH2:76][CH2:75][CH2:74][NH:73][CH2:72][CH2:71]1)=O)(C)(C)C.FC(F)(F)C(O)=O>CS(C)=O>[Cl:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][C:11]=1[C:12]([N:70]1[CH2:76][CH2:75][CH2:74][NH:73][CH2:72][CH2:71]1)=[O:14])[N:8]=[CH:7][N:6]=[C:5]2[NH:15][CH:16]([C:18]1[NH:22][C:21]2[CH:23]=[CH:24][C:25]([Cl:27])=[CH:26][C:20]=2[N:19]=1)[CH3:17]