HRID152217

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID498716

未命名化合物

HCID10632289

4-[(5-formylimidazol-1-yl)methyl]benzonitrile

C12H9N3O

HCID13544841

4-(3-Methylphenyl)piperidin-4-ol

C12H17NO

PRODUCTS

生成物

结构：Cc1cccc(C2(O)CCN(Cc3cncn3Cc3ccc(C#N)cc3)CC2)c1

HCID9864999

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8832fb0b7fcf481daced178968d7fc7f
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

[C:16](#[N:17])[c:18]1[cH:19][cH:20][c:21]([CH2:22][n:23]2[cH:24][n:25][cH:26][c:27]2[CH:28]=[O:29])[cH:30][cH:31]1.[C:32]([BH3-:33])#[N:34].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:2][c:3]1[cH:4][c:5]([C:9]2([OH:15])[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[cH:6][cH:7][cH:8]1.[CH3:36][C:37](=[O:38])[OH:39].[CH3:40][OH:41].[ClH:1].[Na+:35]>>[CH3:2][c:3]1[cH:4][c:5]([C:9]2([OH:15])[CH2:10][CH2:11][N:12]([CH2:28][c:27]3[n:23]([CH2:22][c:21]4[cH:20][cH:19][c:18]([C:16]#[N:17])[cH:31][cH:30]4)[cH:24][n:25][cH:26]3)[CH2:13][CH2:14]2)[cH:6][cH:7][cH:8]1