HRID857578

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=C(O)C(F)(F)F.O=C1CNCCN1S(=O)(=O)c1nc2ccccc2s1

HCID68523551

未命名化合物

结构：O=C(O)Cn1cnc2c(=O)[nH]c(NC(=O)OC(c3ccccc3)c3ccccc3)nc21

HCID135616176

(2-{[(Diphenylmethoxy)carbonyl]amino}-6-oxo-3,6-dihydro-9H-purin-9-yl)acetic acid

C21H17N5O5

PRODUCTS

生成物

结构：O=C(Nc1nc2c(ncn2CC(=O)N2CCN(S(=O)(=O)c3nc4ccccc4s3)C(=O)C2)c(=O)[nH]1)OC(c1ccccc1)c1ccccc1

HCID136378448

未命名化合物

PROCEDURE

实验过程

The title compound was synthesized by the reaction of 1-(benzothiazole-2-sulfonyl)-piperazin-2-one trifluoroacetic acid salt with [2-N-(benzhydryloxycarbonyl)-guanin-9-yl]-acetic acid as per the procedure of Example 52. 1H NMR (500 MHz; DMSO-d6) δ 11.62 (bs, H), 11.24 (bs, 1H), 8.36 (m, 1H), 8.26 (m, 1H), 7.81 (s, 0.6H), 7.77 (s, 0.4H), 7.72 (m, 2H), 7.45 (d, 4H), 7.38 (t, 4H), 7.30 (t, 2H), 6.86 (s, 1H), 5.16 (s, 1.2H), 5.05 (s, 0.8H), 4.53 (s, 0.8H), 4.28 (s, 1.2H), 4.26 (t, 1.2H), 4.09 (t, 0.8H), 4.05 (t, 1.2H), 3.86 (t, 0.8H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f3eddd769fe42acb8ade162da215909
来源数据集: uspto-grants-2006_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07145006B2
来源说明: uspto-grants-2006_12

反应 SMILES

FC(F)(F)C(O)=O.[S:8]1[C:12]2[CH:13]=[CH:14][CH:15]=[CH:16][C:11]=2[N:10]=[C:9]1[S:17]([N:20]1[CH2:25][CH2:24][NH:23][CH2:22][C:21]1=[O:26])(=[O:19])=[O:18].[CH:27]([O:40][C:41]([NH:43][C:44]1[NH:45][C:46](=[O:57])[C:47]2[N:48]=[CH:49][N:50]([CH2:53][C:54](O)=[O:55])[C:51]=2[N:52]=1)=[O:42])([C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=1)[C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1>>[S:8]1[C:12]2[CH:13]=[CH:14][CH:15]=[CH:16][C:11]=2[N:10]=[C:9]1[S:17]([N:20]1[CH2:25][CH2:24][N:23]([C:54](=[O:55])[CH2:53][N:50]2[CH:49]=[N:48][C:47]3[C:46](=[O:57])[NH:45][C:44]([NH:43][C:41]([O:40][CH:27]([C:34]4[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=4)[C:28]4[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=4)=[O:42])=[N:52][C:51]2=3)[CH2:22][C:21]1=[O:26])(=[O:19])=[O:18]