HRID2331172

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID81531

Diisopropylethylamine

C8H19N

结构：CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C3(O)CCCNC3)n(C)c2n1

HCID59605208

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C3(O)CCCN(S(C)(=O)=O)C3)n(C)c2n1

HCID59605637

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25f87d663f3d4b54b40cbae24eda47f6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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