HRID186119

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID75954

Butanoyl chloride, 2-ethyl-

C6H11ClO

结构：CC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC(=O)c1ccc(N)cc1F

HCID68462201

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)C(=O)Nc1ccc(C(=O)CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2C)c(F)c1

HCID68465641

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17c4a9ffbd3f4a66ace6c8f0767a4220
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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