HRID388928

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

结构：CC(C)c1ccccc1Nc1nc2ccc(C(=O)O)cc2[nH]1

HCID68444133

未命名化合物

HCID68445837

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1ccccc1Nc1nc2ccc(C(=O)Nc3ccc4c(NC(=O)C5CCN(C)CC5)n[nH]c4c3)cc2[nH]1

HCID59522610

未命名化合物

PROCEDURE

实验过程

2-(2-Isopropylphenylamino)-3H-benzimidazole-5-carboxylic acid (0.3 mmol; see Example 66) was coupled with aforementioned 1-methylpiperidine-4-carboxylic acid (6-amino-1H-indazol-3-yl)-amide (0.3 mmol) using HBTU as described in general procedure D to afford the desired product, 2-(2-Isopropylphenylamino)-3H-benzimidazole-5-carboxylic acid {3-[(1-methylpiperidine-4-carbonyl)-amino]-1H-indazol-6-yl}-amide. MS: m/z 551 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f58f898bff34badb12f0e75fa7a75c8
来源数据集: uspto-grants-2013_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08377983B2
来源说明: uspto-grants-2013_02

反应 SMILES

[CH:1]([C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[NH:10][C:11]1[NH:12][C:13]2[CH:19]=[C:18]([C:20](O)=[O:21])[CH:17]=[CH:16][C:14]=2[N:15]=1)([CH3:3])[CH3:2].[NH2:23][C:24]1[CH:32]=[C:31]2[C:27]([C:28]([NH:33][C:34]([CH:36]3[CH2:41][CH2:40][N:39]([CH3:42])[CH2:38][CH2:37]3)=[O:35])=[N:29][NH:30]2)=[CH:26][CH:25]=1.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>>[CH3:42][N:39]1[CH2:38][CH2:37][CH:36]([C:34]([NH:33][C:28]2[C:27]3[C:31](=[CH:32][C:24]([NH:23][C:20]([C:18]4[CH:17]=[CH:16][C:14]5[N:15]=[C:11]([NH:10][C:5]6[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=6[CH:1]([CH3:2])[CH3:3])[NH:12][C:13]=5[CH:19]=4)=[O:21])=[CH:25][CH:26]=3)[NH:30][N:29]=2)=[O:35])[CH2:41][CH2:40]1