HRID123399

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID31374

Dimethylacetamide

C4H9NO

HCID66054

Butanoyl chloride, 3-methyl-

C5H9ClO

结构：Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)cc1N

HCID57749401

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)cc1NC(=O)CC(C)C

HCID57749129

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03baae7caa174455961943239e30ab88
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:38](=[O:39])([O-:40])[OH:41].[CH3:25][CH:26]([CH2:27][C:28](=[O:29])[Cl:30])[CH3:31].[CH3:32][N:33]([CH3:34])[C:35](=[O:36])[CH3:37].[NH2:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]3[n:10]([cH:11]2)[n:12][c:13]([NH:15][C:16](=[O:17])[CH:18]2[CH2:19][CH2:20]2)[n:14]3)[cH:21][cH:22][c:23]1[CH3:24].[Na+:42]>>[NH:1]([c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]3[n:10]([cH:11]2)[n:12][c:13]([NH:15][C:16](=[O:17])[CH:18]2[CH2:19][CH2:20]2)[n:14]3)[cH:21][cH:22][c:23]1[CH3:24])[C:28]([CH2:27][CH:26]([CH3:25])[CH3:31])=[O:29]