HRID1551808

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID53167

1-Methylpiperazine

C5H12N2

反应SMILES：O=C(CCl)Nc1cn2nc(Oc3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)ccc2n1

HCID57505744

未命名化合物

PRODUCTS

产物

反应SMILES：CN1CCN(CC(=O)Nc2cn3nc(Oc4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)ccc3n2)CC1

HCID57505746

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f9d5f08a3e5a49aeb7c7dd96f482eaed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

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