HRID92257

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID9086

3-Aminopropanol

C3H9NO

HCID119047

Phenoxide

C6H5O-

HCID10933025

3-(chloromethyl)-5-(4-fluorophenyl)pyridine

C12H9ClFN

HCID19079504

未命名化合物

PRODUCTS

生成物

HCID19079352

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7744ca6f5cff4d94aa1503a977ab4b8d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:48][C:49]#[N:50].[Cl:33][CH2:34][c:35]1[cH:36][n:37][cH:38][c:39](-[c:40]2[cH:41][cH:42][c:43]([F:44])[cH:45][cH:46]2)[cH:47]1.[Cl:9][CH2:10][CH2:11][CH2:12][NH:13][CH2:14][c:15]1[cH:16][n:17][cH:18][c:19](-[c:21]2[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]2)[cH:20]1.[Na+:1].[O-:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1.[OH:28][CH2:29][CH2:30][CH2:31][NH2:32]>>[O:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[CH2:10][CH2:11][CH2:12][NH:13][CH2:14][c:15]1[cH:16][n:17][cH:18][c:19](-[c:21]2[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]2)[cH:20]1