HRID1163377

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

HCID68444558

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1ccccc1Nc1nc2ccc(C(=O)Nc3ccc4c(OCCN5CCOCC5)n[nH]c4c3)cc2[nH]1

HCID59522594

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 3-(2-morpholin-4-ylethoxy)-1H-indazol-6-ylamine (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-(2-morpholin-4-ylethoxy)-1H-indazol-6-yl]-amide. MS: m/z 540 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d2ce0bb95ef4cdfa7627f55470d4b84
来源数据集: uspto-grants-2010_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07820821B2
来源说明: uspto-grants-2010_10

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]([OH:22])=O)[CH:17]=[CH:16][C:14]=2[N:15]=1)([CH3:3])[CH3:2].[N:23]1([CH2:29][CH2:30][O:31][C:32]2[C:40]3[C:35](=[CH:36][C:37]([NH2:41])=[CH:38][CH:39]=3)[NH:34][N:33]=2)[CH2:28][CH2:27][O:26][CH2:25][CH2:24]1.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>>[N:23]1([CH2:29][CH2:30][O:31][C:32]2[C:40]3[C:35](=[CH:36][C:37]([NH:41][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:22])=[CH:38][CH:39]=3)[NH:34][N:33]=2)[CH2:28][CH2:27][O:26][CH2:25][CH2:24]1