HRID305235

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID75954

Butanoyl chloride, 2-ethyl-

C6H11ClO

结构：CCN(CC)C(=O)C(=C1CCN(c2ccc(N)cc2F)CC1)c1cccc(F)c1

HCID69304055

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)C(=O)Nc1ccc(N2CCC(=C(C(=O)N(CC)CC)c3cccc(F)c3)CC2)c(F)c1

HCID58870632

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-02746298dfd444ea996d3c2868ff7262
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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