HRID1559295

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID7504

Benzylamine

C7H9N

HCID81531

Diisopropylethylamine

C8H19N

结构：CS(=O)(=O)c1nccc(-c2n[nH]c3nc(NCCN4CCOCC4)ncc23)n1

HCID178504845

未命名化合物

PRODUCTS

生成物

结构：c1ccc(CNc2nccc(-c3n[nH]c4nc(NCCN5CCOCC5)ncc34)n2)cc1

HCID178420334

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0cc643e884364211b1f08b4015d35832
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:29]([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[NH2:36].[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[n:6][cH:7][cH:8][c:9](-[c:11]2[n:12][nH:13][c:14]3[n:15][c:16]([NH:20][CH2:21][CH2:22][N:23]4[CH2:24][CH2:25][O:26][CH2:27][CH2:28]4)[n:17][cH:18][c:19]23)[n:10]1.[CH3:46][S:47]([CH3:48])=[O:49].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45]>>[c:5]1([NH:36][CH2:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[n:6][cH:7][cH:8][c:9](-[c:11]2[n:12][nH:13][c:14]3[n:15][c:16]([NH:20][CH2:21][CH2:22][N:23]4[CH2:24][CH2:25][O:26][CH2:27][CH2:28]4)[n:17][cH:18][c:19]23)[n:10]1