HRID74653

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID2733207

O-(Benzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium tetrafluoroborate

C11H16BF4N5O

结构：COc1ccc2c(c1)CCN(C1CCN(c3ncnc(C(=O)O)n3)CC1)C(=O)N2

HCID58386443

未命名化合物

HCID66722193

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(c1)CCN(C1CCN(c3ncnc(C(=O)N4Cc5cn[nH]c5C(C)(C)C4)n3)CC1)C(=O)N2

HCID42613868

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

PROCEDURE

实验过程

0.11 g (0.26 mmol) 4-[4-(7-methoxy-2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidin-1-yl]-[1,3,5]triazine-2-carboxylic acid, 59 mg (0.26 mmol) 7,7-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine dihydrochloride and 0.15 mL (1.1 mmol) TEA were placed in 1.5 mL DMF. 93 mg (0.29 mmol) TBTU were added and the reaction mixture was stirred for three days at RT. The substance was purified by HPLC-MS. The product-containing fractions were combined and freeze-dried.

WORKUP

后处理

customThe substance was purified by HPLC-MS
customfreeze-dried

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd59de935c644ca49f6acc92547b7aa9
来源数据集: uspto-grants-2014_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08829006B2
来源说明: uspto-grants-2014_09

反应 SMILES

[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]2[NH:12][C:11](=[O:13])[N:10]([CH:14]3[CH2:19][CH2:18][N:17]([C:20]4[N:25]=[CH:24][N:23]=[C:22]([C:26](O)=[O:27])[N:21]=4)[CH2:16][CH2:15]3)[CH2:9][CH2:8][C:7]=2[CH:29]=1.Cl.Cl.[CH3:32][C:33]1([CH3:42])[CH2:38][NH:37][CH2:36][C:35]2[CH:39]=[N:40][NH:41][C:34]1=2.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)F>CN(C=O)C>[CH3:32][C:33]1([CH3:42])[CH2:38][N:37]([C:26]([C:22]2[N:23]=[CH:24][N:25]=[C:20]([N:17]3[CH2:18][CH2:19][CH:14]([N:10]4[CH2:9][CH2:8][C:7]5[CH:29]=[C:3]([O:2][CH3:1])[CH:4]=[CH:5][C:6]=5[NH:12][C:11]4=[O:13])[CH2:15][CH2:16]3)[N:21]=2)=[O:27])[CH2:36][C:35]2[CH:39]=[N:40][NH:41][C:34]1=2