HRID2151155

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID498716

未命名化合物

HCID3364576

6-Methoxynicotinaldehyde

C7H7NO2

结构：Nc1ccccc1C(=O)Nc1ccc(Br)c(C(F)(F)F)c1

HCID11268358

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CNc2ccccc2C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cn1

HCID9913029

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ed31cf59fad43dcb1849c5b7da1a6ca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([BH3-:2])#[N:3].[C:36](=[O:37])([O-:38])[OH:39].[CH3:41][OH:42].[CH3:43][C:44](=[O:45])[OH:46].[CH3:5][O:6][c:7]1[cH:8][cH:9][c:10]([CH:13]=[O:14])[cH:11][n:12]1.[NH2:15][c:16]1[c:17]([C:18](=[O:19])[NH:20][c:21]2[cH:22][c:23]([C:28]([F:29])([F:30])[F:31])[c:24]([Br:27])[cH:25][cH:26]2)[cH:32][cH:33][cH:34][cH:35]1.[Na+:40].[Na+:4]>>[CH3:5][O:6][c:7]1[cH:8][cH:9][c:10]([CH2:13][NH:15][c:16]2[c:17]([C:18](=[O:19])[NH:20][c:21]3[cH:22][c:23]([C:28]([F:29])([F:30])[F:31])[c:24]([Br:27])[cH:25][cH:26]3)[cH:32][cH:33][cH:34][cH:35]2)[cH:11][n:12]1