HRID858045

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2777126

5-chloro-1,3-dimethyl-1H-pyrazole-4-sulfonyl chloride

C5H6Cl2N2O2S

结构：Nc1cccc(Cc2nc3c([nH]2)c(=O)n(Cc2ccccc2F)c(=O)n3CC2CC2)c1

HCID69115150

未命名化合物

PRODUCTS

生成物

结构：Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1cccc(Cc2nc3c([nH]2)c(=O)n(Cc2ccccc2F)c(=O)n3CC2CC2)c1

HCID11758455

未命名化合物

PROCEDURE

实验过程

Prepared from 8-(3-amino-benzyl)-3-cyclopropylmethyl-1-(2-fluoro-benzyl)-3,7-dihydro-purine-2,6-dione and 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulfonyl chloride. Light yellow solid; (ES)+-HRMS m/e calculated for C28H27ClFN7O4S (M+Na)+ 634.1411, found 634.1410.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f24c9cf1eb49462aab05299a8c95cf23
来源数据集: uspto-grants-2006_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07148229B2
来源说明: uspto-grants-2006_12

反应 SMILES

[NH2:1][C:2]1[CH:3]=[C:4]([CH:29]=[CH:30][CH:31]=1)[CH2:5][C:6]1[NH:14][C:13]2[C:12](=[O:15])[N:11]([CH2:16][C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=3[F:23])[C:10](=[O:24])[N:9]([CH2:25][CH:26]3[CH2:28][CH2:27]3)[C:8]=2[N:7]=1.[Cl:32][C:33]1[N:37]([CH3:38])[N:36]=[C:35]([CH3:39])[C:34]=1[S:40](Cl)(=[O:42])=[O:41]>>[CH:26]1([CH2:25][N:9]2[C:8]3[N:7]=[C:6]([CH2:5][C:4]4[CH:3]=[C:2]([NH:1][S:40]([C:34]5[C:35]([CH3:39])=[N:36][N:37]([CH3:38])[C:33]=5[Cl:32])(=[O:41])=[O:42])[CH:31]=[CH:30][CH:29]=4)[NH:14][C:13]=3[C:12](=[O:15])[N:11]([CH2:16][C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=3[F:23])[C:10]2=[O:24])[CH2:28][CH2:27]1