HRID2320937

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7900

1-Methoxy-2-propanol

C4H10O2

HCID81531

Diisopropylethylamine

C8H19N

HCID12077807

6-[(4-Methylpiperazin-1-yl)methyl]pyridin-2-amine

C11H18N4

结构：CS(=O)c1ncc2ccc(-c3cccc(S(C)(=O)=O)c3)n2n1

HCID66711400

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(Cc2cccc(Nc3ncc4ccc(-c5cccc(S(C)(=O)=O)c5)n4n3)n2)CC1

HCID66712320

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4244ce588c8d42979cc5f7fcc004e500
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

[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[cH:29][c:30]([S:34](=[O:35])(=[O:36])[CH3:37])[cH:31][cH:32][cH:33]1.[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH2:8][c:9]2[cH:10][cH:11][cH:12][c:13]([NH2:15])[n:14]2)[CH2:6][CH2:7]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]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH2:8][c:9]2[cH:10][cH:11][cH:12][c:13]([NH:15][c:19]3[n:20][n:21]4[c:22]([cH:23][n:24]3)[cH:25][cH:26][c:27]4-[c:28]3[cH:29][c:30]([S:34](=[O:35])(=[O:36])[CH3:37])[cH:31][cH:32][cH:33]3)[n:14]2)[CH2:6][CH2:7]1