HRID166986

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID31275

1,4-Dioxane

C4H8O2

HCID71281109

未命名化合物

PRODUCTS

产物

HCID71281044

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e0f2f98c0edb4ca6b6268f670db6415e
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

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