HRID687858

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID68856742

未命名化合物

HCID86625351

未命名化合物

PRODUCTS

产物

HCID68856860

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4aae6307b1cc4b99abf8f6b748056feb
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:24]([CH3:25])([CH3:26])([CH3:27])[O:28][C:29](=[O:30])[N:31]1[CH2:32][CH2:33][C:34]([CH2:37][CH3:38])([CH2:39][CH2:40][CH2:41][NH2:42])[CH2:35][CH2:36]1.[CH2:52]1[O:53][CH2:54][CH2:55][O:56][CH2:57]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:43]([N:44]([CH:45]([CH3:46])[CH3:47])[CH2:48][CH3:49])([CH3:50])[CH3:51]>>[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:42][CH2:41][CH2:40][CH2:39][C:34]5([CH2:37][CH3:38])[CH2:33][CH2:32][N:31]([C:29]([O:28][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:30])[CH2:36][CH2:35]5)[n:19][cH:20][c:21]4[Cl:22])[cH:14][c:15]23)[CH2:2][CH2:3]1