HRID666345

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID1514258

tert-Butyl 4-(2-aminoethyl)piperidine-1-carboxylate

C12H24N2O2

结构：O=C(NC1CC1)c1cccc2sc(-c3nc(Cl)ncc3Cl)cc12

HCID86625351

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(CCNc2ncc(Cl)c(-c3cc4c(C(=O)NC5CC5)cccc4s3)n2)CC1

HCID68857840

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ac98d838e504dfb9f36c0d36e6a828d
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

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