HRID317019

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7894

3-Methyl-1-butanamine

C5H13N

反应SMILES：CCOC(=O)c1cn2nc(N3CCN(C(=O)c4cc(F)ccc4C(F)(F)F)CC3)ccc2n1

HCID66863459

未命名化合物

HCID178511850

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)CCNC(=O)c1cn2nc(N3CCN(C(=O)c4cc(F)ccc4C(F)(F)F)CC3)ccc2n1

HCID11706115

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f8460c20678a468f890a22c98a6876db
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

[CH2:1]([O:3][C:4](=[O:2])[c:6]1[n:7][c:8]2[n:9]([n:10][c:11]([N:14]3[CH2:15][CH2:16][N:17]([C:20]([c:21]4[c:22]([C:28]([F:29])([F:30])[F:31])[cH:23][cH:24][c:25]([F:27])[cH:26]4)=[O:32])[CH2:18][CH2:19]3)[cH:12][cH:13]2)[cH:33]1)[CH3:5].[CH2:34]([CH2:35][CH:36]([CH3:37])[CH3:38])[NH2:39].[Na:40][C:41]#[N:42]>>[O:3]=[C:4]([c:6]1[n:7][c:8]2[n:9]([n:10][c:11]([N:14]3[CH2:15][CH2:16][N:17]([C:20]([c:21]4[c:22]([C:28]([F:29])([F:30])[F:31])[cH:23][cH:24][c:25]([F:27])[cH:26]4)=[O:32])[CH2:18][CH2:19]3)[cH:12][cH:13]2)[cH:33]1)[NH:39][CH2:34][CH2:35][CH:36]([CH3:37])[CH3:38]