HRID696226

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID21959529

4-(1-Methylpiperidin-4-yl)aniline

C12H18N2

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：CN1CCC(c2ccc(Nc3ncc4ccc(-c5ccccc5N(C)S(C)(=O)=O)n4n3)cc2)CC1

HCID66712762

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11a186f54d394a898d18fcf9ba3a986d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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