HRID1138922

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID66054

Butanoyl chloride, 3-methyl-

C5H9ClO

结构：Cc1ccc(C(=O)NCCC2CCCC2)cc1C(=O)Nc1ccc(N)nc1

HCID24812718

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)NCCC2CCCC2)cc1C(=O)Nc1ccc(NC(=O)CC(C)C)nc1

HCID59381892

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0624944aa0a74012ad1bafbe10f16e03
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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