HRID2145972

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID17750945

tert-Butyl 4-(3-aminopropyl)piperazine-1-carboxylate

C12H25N3O2

结构：O=C(NC1CC1)c1cccc2sc(-c3nc(Cl)ncc3F)cc12

HCID86625376

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(CCCNc2ncc(F)c(-c3cc4c(C(=O)NC5CC5)cccc4s3)n2)CC1

HCID68906206

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68874543d29a468c8bd0870695e5276e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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