HRID188101

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7900

1-Methoxy-2-propanol

C4H10O2

HCID81531

Diisopropylethylamine

C8H19N

HCID847768

3-morpholin-4-ylaniline

C10H14N2O

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：CN(c1ccccc1-c1ccc2cnc(Nc3cccc(N4CCOCC4)c3)nn12)S(C)(=O)=O

HCID66711416

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e826321c8f774e8289b4813caede2417
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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