HRID2131709

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8071

未命名化合物

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID3857145

1-(2-naphthyl)ethanamine

C12H13N

HCID18507692

未命名化合物

PRODUCTS

产物

反应SMILES：CC(Nc1nc(N)nc(-c2ccco2)c1C#N)c1ccc2ccccc2c1

HCID70004180

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-2d78c1b4cc774a3ebc8a306ddf0caaf4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

[CH2:31]1[CH2:32][CH2:33][C:34]2=[N:39][CH2:38][CH2:37][CH2:36][N:35]2[CH2:40][CH2:41]1.[CH3:42][O:43][CH2:44][CH2:45][O:46][CH3:47].[NH2:1][c:2]1[n:3][c:4]([S:15]([CH3:16])=[O:17])[c:5]([C:13]#[N:14])[c:6](-[c:8]2[o:9][cH:10][cH:11][cH:12]2)[n:7]1.[cH:18]1[c:19]([CH:28]([CH3:29])[NH2:30])[cH:20][cH:21][c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]12>>[NH2:1][c:2]1[n:3][c:4]([NH:30][CH:28]([c:19]2[cH:18][c:27]3[c:22]([cH:21][cH:20]2)[cH:23][cH:24][cH:25][cH:26]3)[CH3:29])[c:5]([C:13]#[N:14])[c:6](-[c:8]2[o:9][cH:10][cH:11][cH:12]2)[n:7]1