HRID180365

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID2761178

ethyl 4-(piperazin-1-yl)benzoate

C13H18N2O2

HCID59708482

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(N2CCN(c3nc4c(c(Nc5cccc(Cl)c5)n3)S(=O)CC4)CC2)cc1

HCID59708453

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-66236b43733249788f4d173a5df560ce
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

[CH:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH2:42][CH3:43])([CH3:44])[CH3:45].[Cl:1][c:2]1[n:3][c:4]([NH:12][c:13]2[cH:14][c:15]([Cl:19])[cH:16][cH:17][cH:18]2)[c:5]2[c:6]([n:7]1)[CH2:8][CH2:9][S:10]2=[O:11].[N:20]1([c:26]2[cH:27][cH:28][c:29]([C:30](=[O:31])[O:32][CH2:33][CH3:34])[cH:35][cH:36]2)[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]1.[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[OH2:46]>>[c:2]1([N:23]2[CH2:22][CH2:21][N:20]([c:26]3[cH:27][cH:28][c:29]([C:30](=[O:31])[O:32][CH2:33][CH3:34])[cH:35][cH:36]3)[CH2:25][CH2:24]2)[n:3][c:4]([NH:12][c:13]2[cH:14][c:15]([Cl:19])[cH:16][cH:17][cH:18]2)[c:5]2[c:6]([n:7]1)[CH2:8][CH2:9][S:10]2=[O:11]