HRID150282

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID78328

1-Piperazinepropanamine, 4-methyl-

C8H19N3

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1cnc(Cl)nc1-c1cc2ccc(S(=O)(=O)NC(c3ccccc3)c3ccccc3)cc2s1

HCID86625355

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(NCCCN2CCN(C)CC2)nc1-c1cc2ccc(S(=O)(=O)NC(c3ccccc3)c3ccccc3)cc2s1

HCID68855935

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a985a018d18b4753ae967827cc5b8b32
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:55]1[O:56][CH2:57][CH2:58][O:59][CH2:60]1.[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[NH:14][S:15](=[O:16])(=[O:17])[c:18]1[cH:19][cH:20][c:21]2[c:22]([s:23][c:24](-[c:26]3[n:27][c:28]([Cl:33])[n:29][cH:30][c:31]3[CH3:32])[cH:25]2)[cH:34]1.[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[NH2:44][CH2:45][CH2:46][CH2:47][N:48]1[CH2:49][CH2:50][N:51]([CH3:54])[CH2:52][CH2:53]1>>[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[NH:14][S:15](=[O:16])(=[O:17])[c:18]1[cH:19][cH:20][c:21]2[c:22]([s:23][c:24](-[c:26]3[n:27][c:28]([NH:44][CH2:45][CH2:46][CH2:47][N:48]4[CH2:49][CH2:50][N:51]([CH3:54])[CH2:52][CH2:53]4)[n:29][cH:30][c:31]3[CH3:32])[cH:25]2)[cH:34]1