HRID134261

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID21077588

2-Chloro-5-nitropyrimidin-4-yl thiocyanate

C5HClN4O2S

HCID86646082

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1cccc(N(c2ncc([N+](=O)[O-])c(SC#N)n2)C2CC2)c1

HCID86646084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d0f1c5b8a4b4b51b389e73aef05178e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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