HRID585742

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID167069

2-Chloro-1-methylpyridinium iodide

C6H7ClIN

结构：Nc1ccnc2c1cnn2C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID22337470

未命名化合物

结构：CC(C)(C)OC(=O)N[C@H]1CCSc2cc(C(=O)O)ccc21

HCID59089455

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N[C@H]1CCSc2cc(C(=O)Nc3ccnc4c3cnn4C(c3ccccc3)(c3ccccc3)c3ccccc3)ccc21

HCID69619621

未命名化合物

收率 73.8%

PROCEDURE

实验过程

By a similar reaction operation as in Starting Material Synthetic Example 53 using (S)-4-(tert-butoxycarbonylamino)thiochromane-7-carboxylic acid (500 mg), 4-amino-1-triphenylmethylpyrazolo[3,4-b]pyridine (670 mg) synthesized according to a known method and 2-chloro-1-methylpyridinium iodide (496 mg), the objective (S)-4-(tert-butoxycarbonylamino)-N-(1-triphenylmethylpyrazolo[3,4-b]pyridin-4-yl)thiochromane-7-carboxamide (796 mg) was obtained as a pale yellow amorphous solid.

WORKUP

后处理

customsynthesized

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-96f348abe2ff423fb07d416f935fc79e
来源数据集: uspto-grants-2005_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06933305B2
来源说明: uspto-grants-2005_08

反应 SMILES

[C:1]([O:5][C:6]([NH:8][C@@H:9]1[C:18]2[C:13](=[CH:14][C:15]([C:19](O)=[O:20])=[CH:16][CH:17]=2)[S:12][CH2:11][CH2:10]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[NH2:22][C:23]1[CH:28]=[CH:27][N:26]=[C:25]2[N:29]([C:32]([C:45]3[CH:50]=[CH:49][CH:48]=[CH:47][CH:46]=3)([C:39]3[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=3)[C:33]3[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=3)[N:30]=[CH:31][C:24]=12.[I-].ClC1C=CC=C[N+]=1C>>[C:1]([O:5][C:6]([NH:8][C@@H:9]1[C:18]2[C:13](=[CH:14][C:15]([C:19]([NH:22][C:23]3[CH:28]=[CH:27][N:26]=[C:25]4[N:29]([C:32]([C:33]5[CH:34]=[CH:35][CH:36]=[CH:37][CH:38]=5)([C:39]5[CH:40]=[CH:41][CH:42]=[CH:43][CH:44]=5)[C:45]5[CH:50]=[CH:49][CH:48]=[CH:47][CH:46]=5)[N:30]=[CH:31][C:24]=34)=[O:20])=[CH:16][CH:17]=2)[S:12][CH2:11][CH2:10]1)=[O:7])([CH3:2])([CH3:3])[CH3:4]