HRID695446

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(OC)CCCNC3)n(C)c2n1

HCID59605529

未命名化合物

PRODUCTS

生成物

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

HCID59605939

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-37cf015647004c27838f1f4aaa767d43
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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:28]3[CH2:29][CH2:30][O:31][CH2:32][CH2:33]3)[c:13]3[n:14][c:15]([C:20]4([O:26][CH3:27])[CH2:21][NH:22][CH2:23][CH2:24][CH2:25]4)[n:16]([CH3:19])[c:17]3[n:18]1)[cH:34][cH:35][cH:36][cH:37]2.[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:47][S:48]([Cl:49])(=[O:50])=[O:51].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[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:28]3[CH2:29][CH2:30][O:31][CH2:32][CH2:33]3)[c:13]3[n:14][c:15]([C:20]4([O:26][CH3:27])[CH2:21][N:22]([S:48]([CH3:47])(=[O:50])=[O:51])[CH2:23][CH2:24][CH2:25]4)[n:16]([CH3:19])[c:17]3[n:18]1)[cH:34][cH:35][cH:36][cH:37]2