HRID2322956

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1ccc(Nc2nccc3c2CCNC3)cc1-c1cc2ccccc2cn1

HCID58317905

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(Nc2nccc3c2CCN(S(C)(=O)=O)C3)cc1-c1cc2ccccc2cn1

HCID57493335

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3145026843cf4d108a17bb79353e156f
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

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