HRID1147062

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID2756424

tert-Butyl (2-aminoethyl)methylcarbamate

C8H18N2O2

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

HCID86625351

未命名化合物

PRODUCTS

生成物

结构：CN(CCNc1ncc(Cl)c(-c2cc3c(C(=O)NC4CC4)cccc3s2)n1)C(=O)OC(C)(C)C

HCID68856879

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f09d32fb506046db9767906ed49c14fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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