HRID585760

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)c(Cl)cc21

HCID59089433

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)c(Cl)cc21

HCID69619689

未命名化合物

收率 86.2%

PROCEDURE

实验过程

By a similar reaction operation as in Starting Material Synthetic Example 53 using (S)-4-(tert-butoxycarbonylamino)-6-chloro-thiochromane-7-carboxylic acid (150 mg), 4-amino-1-triphenylmethylpyrazolo[3,4-b]pyridine (163 mg) and 2-chloro-1-methylpyridinium iodide (133 mg), the objective (S)-4-(tert-butoxycarbonylamino)-6-chloro-N-(1-triphenylmethylpyrazolo[3,4-b]pyridin-4-yl)thiochromane-7-carboxamide (262 mg) was obtained as a pale yellow amorphous solid.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06297e1e69d2428aa6f38828cf01eba8
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:20](O)=[O:21])=[C:16]([Cl:19])[CH:17]=2)[S:12][CH2:11][CH2:10]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[NH2:23][C:24]1[CH:29]=[CH:28][N:27]=[C:26]2[N:30]([C:33]([C:46]3[CH:51]=[CH:50][CH:49]=[CH:48][CH:47]=3)([C:40]3[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=3)[C:34]3[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=3)[N:31]=[CH:32][C:25]=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:20]([NH:23][C:24]3[CH:29]=[CH:28][N:27]=[C:26]4[N:30]([C:33]([C:34]5[CH:35]=[CH:36][CH:37]=[CH:38][CH:39]=5)([C:40]5[CH:41]=[CH:42][CH:43]=[CH:44][CH:45]=5)[C:46]5[CH:51]=[CH:50][CH:49]=[CH:48][CH:47]=5)[N:31]=[CH:32][C:25]=34)=[O:21])=[C:16]([Cl:19])[CH:17]=2)[S:12][CH2:11][CH2:10]1)=[O:7])([CH3:2])([CH3:3])[CH3:4]