HRID833779

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID6395

Methanesulfonic acid

CH4O3S

结构：CCCCCCOC(=O)NC(=N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1

HCID135565674

未命名化合物

PRODUCTS

生成物

HCID6395

Methanesulfonic acid

CH4O3S

HCID135565674

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-934d934ad87c45b98cbaf777d916e325
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:47][S:48]([OH:49])(=[O:50])=[O:51].[CH3:52][C:53](=[O:54])[CH3:55].[n:1]1[c:2]([N:7]([C:8](=[O:9])[c:10]2[cH:11][c:12]3[c:13]([n:14]([CH3:37])[c:15]([CH2:17][NH:18][c:19]4[cH:20][cH:21][c:22]([C:25]([NH:26][C:27](=[O:28])[O:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])=[NH:36])[cH:23][cH:24]4)[n:16]3)[cH:38][cH:39]2)[CH2:40][CH2:41][C:42](=[O:43])[O:44][CH2:45][CH3:46])[cH:3][cH:4][cH:5][cH:6]1>>[CH3:47][S:48](=[O:49])(=[O:50])[OH:51].[n:1]1[c:2]([N:7]([C:8](=[O:9])[c:10]2[cH:11][c:12]3[c:13]([n:14]([CH3:37])[c:15]([CH2:17][NH:18][c:19]4[cH:20][cH:21][c:22]([C:25]([NH:26][C:27](=[O:28])[O:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])=[NH:36])[cH:23][cH:24]4)[n:16]3)[cH:38][cH:39]2)[CH2:40][CH2:41][C:42](=[O:43])[O:44][CH2:45][CH3:46])[cH:3][cH:4][cH:5][cH:6]1