HRID676130

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID674

Dimethylamine

C2H7N

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID498716

未命名化合物

结构：O=Cc1ccc(C2Nc3cccc4c(=O)[nH]nc(c34)C2c2ccc(F)cc2)cc1

HCID136344749

未命名化合物

PRODUCTS

生成物

结构：CN(C)Cc1ccc(C2Nc3cccc4c(=O)[nH]nc(c34)C2c2ccc(F)cc2)cc1

HCID136056880

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-78e3164661ad4993bb821420d02afe37
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

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