HRID123249

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7900

1-Methoxy-2-propanol

C4H10O2

HCID81531

Diisopropylethylamine

C8H19N

HCID17604788

未命名化合物

结构：CN(c1ccccc1-c1ccc2cnc(S(C)=O)nn12)S(C)(=O)=O

HCID54577677

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Nc2ncc3ccc(-c4ccccc4N(C)S(C)(=O)=O)n3n2)cc1N1CCOCC1

HCID66712227

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a37ea3bc382b42499bef6fe96365def6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:16][S:17](=[O:18])[c:19]1[n:20][n:21]2[c:22]([cH:23][n:24]1)[cH:25][cH:26][c:27]2-[c:28]1[c:29]([N:34]([S:35](=[O:36])(=[O:37])[CH3:38])[CH3:39])[cH:30][cH:31][cH:32][cH:33]1.[CH3:1][O:2][c:3]1[c:4]([N:10]2[CH2:11][CH2:12][O:13][CH2:14][CH2:15]2)[cH:5][c:6]([NH2:9])[cH:7][cH:8]1.[CH3:49][O:50][CH2:51][CH:52]([OH:53])[CH3:54].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48]>>[CH3:1][O:2][c:3]1[c:4]([N:10]2[CH2:11][CH2:12][O:13][CH2:14][CH2:15]2)[cH:5][c:6]([NH:9][c:19]2[n:20][n:21]3[c:22]([cH:23][n:24]2)[cH:25][cH:26][c:27]3-[c:28]2[c:29]([N:34]([S:35](=[O:36])(=[O:37])[CH3:38])[CH3:39])[cH:30][cH:31][cH:32][cH:33]2)[cH:7][cH:8]1