HRID123876

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID145211

3,5-Difluorobenzylamine

C7H7F2N

HCID498716

未命名化合物

结构：COCOc1ccc2c(c1)c(C=O)c(C(C)C)n2Cc1ccccc1

HCID58986320

未命名化合物

PRODUCTS

生成物

结构：COCOc1ccc2c(c1)c(CNCc1cc(F)cc(F)c1)c(C(C)C)n2Cc1ccccc1

HCID58986328

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2000c43a43434dddbcd33e77711bcdc7
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

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