HRID724528

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID76809

N-((1,1-Dimethylethoxy)carbonyl)-beta-alanine

C8H15NO4

HCID81531

Diisopropylethylamine

C8H19N

结构：CN(C)C(On1nnc2ccccc21)=[N+](C)C.F[P-](F)(F)(F)(F)F

HCID2733084

Methanaminium, N-[(1H-benzotriazol-1-yloxy)(dimethylamino)methylene]-N-methyl-, hexafluorophosphate(1-) (1:1)

C11H16F6N5OP

HCID66633105

未命名化合物

结构：CC(C)(C)OC(=O)NCCNC(=O)c1cc2ccc(N)cc2[nH]1

HCID69528719

未命名化合物

结构：CC(C)Cn1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)cc1C(=O)NCCNC(=O)OC(C)(C)C

HCID69599322

未命名化合物

PRODUCTS

生成物

结构：CC(C)Cn1cc(NC(=O)c2cc3cc(NC(=O)CCN)ccc3[nH]2)cc1C(=O)NCCN

HCID86591608

未命名化合物

收率 96%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

PROCEDURE

实验过程

Compound 116 was reduced by hydrogenation according to the procedure for compound 36, and then reacted with 3-tert-butoxycarbonylaminopropionic acid in DMF in the presence of HBTU, HOBt, and DIEA, followed by deprotection with TFA/anisole according to the procedure for 108. Compound 117 was obtained in 96% yield. MS: 227.62 (M/2+H+).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-478283a7caf24ead86e576830823a8aa
来源数据集: uspto-grants-2006_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07141680B2
来源说明: uspto-grants-2006_11

反应 SMILES

C(OC(=O)[NH:7][CH2:8][CH2:9][NH:10][C:11]([C:13]1[N:14]([CH2:33][CH:34]([CH3:36])[CH3:35])[CH:15]=[C:16]([NH:18][C:19]([C:21]2[NH:22][C:23]3[C:28]([CH:29]=2)=[CH:27][C:26]([N+:30]([O-])=O)=[CH:25][CH:24]=3)=[O:20])[CH:17]=1)=[O:12])(C)(C)C.C(OC(=O)NCCNC(C1[NH:51][C:52]2[C:57]([CH:58]=1)=CC=C(N)C=2)=O)(C)(C)C.C([O:65]C(NCCC(O)=O)=O)(C)(C)C.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.C1C=CC2N(O)N=NC=2C=1.CCN(C(C)C)C(C)C.C(O)(C(F)(F)F)=O.C1(OC)C=CC=CC=1>CN(C=O)C>[NH2:7][CH2:8][CH2:9][NH:10][C:11]([C:13]1[N:14]([CH2:33][CH:34]([CH3:36])[CH3:35])[CH:15]=[C:16]([NH:18][C:19]([C:21]2[NH:22][C:23]3[C:24]([CH:29]=2)=[CH:25][C:26]([NH:30][C:58](=[O:65])[CH2:57][CH2:52][NH2:51])=[CH:27][CH:28]=3)=[O:20])[CH:17]=1)=[O:12]