HRID184837

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6395

Methanesulfonic acid

CH4O3S

结构：CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5nn(C6CCCCO6)cc45)nc(N4CCOCC4)c3s2)CC1

HCID25268845

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1

HCID17755052

Pictrelisib

C23H27N7O3S2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9b1e35babc9478bae0f375daa09b378
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][S:2](=[O:3])(=[O:4])[N:5]1[CH2:6][CH2:7][N:8]([CH2:11][c:12]2[cH:13][c:14]3[n:15][c:16](-[c:27]4[c:28]5[cH:29][n:30]([CH:36]6[CH2:37][CH2:38][CH2:39][CH2:40][O:41]6)[n:31][c:32]5[cH:33][cH:34][cH:35]4)[n:17][c:18]([N:21]4[CH2:22][CH2:23][O:24][CH2:25][CH2:26]4)[c:19]3[s:20]2)[CH2:9][CH2:10]1.[CH3:42][OH:43].[CH3:44][S:45](=[O:46])(=[O:47])[OH:48].[OH2:49]>>[CH3:1][S:2](=[O:3])(=[O:4])[N:5]1[CH2:6][CH2:7][N:8]([CH2:11][c:12]2[cH:13][c:14]3[n:15][c:16](-[c:27]4[c:28]5[cH:29][n:30][nH:31][c:32]5[cH:33][cH:34][cH:35]4)[n:17][c:18]([N:21]4[CH2:22][CH2:23][O:24][CH2:25][CH2:26]4)[c:19]3[s:20]2)[CH2:9][CH2:10]1