HRID89797

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8471

Triethylamine

C6H15N

HCID2774599

4-Fluoro-3-methylbenzylamine

C8H10FN

结构：CCN1CCn2c(nc(C(=O)OC)c(O)c2=O)C(N(C)C(=O)C(=O)N(C)C)C1

HCID67316012

未命名化合物

PRODUCTS

生成物

结构：CCN1CCn2c(nc(C(=O)NCc3ccc(F)c(C)c3)c(O)c2=O)C(N(C)C(=O)C(=O)N(C)C)C1

HCID54684184

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-846c43a3e54b46fd98476a8fdfba5efb
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

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