HRID671902

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID7892

2-Methylpentane

C6H14

HCID8028

Tetrahydrofuran

C4H8O

HCID31275

1,4-Dioxane

C4H8O2

反应SMILES：COc1ccc(COc2cccc(OC)c2-c2cc(Nc3cnc(C#N)cn3)n[nH]2)cc1

HCID67233686

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cccc(O)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1

HCID136337812

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e8436bd6a80245e789e21f4ba6ff60a4
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

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