HRID112341

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：CS(=O)(=O)c1nc(NCC(c2ccccc2)c2ccccc2)c2ncn(C3CCCCO3)c2n1

HCID21978255

未命名化合物

HCID178511842

未命名化合物

PRODUCTS

生成物

结构：N#Cc1nc(NCC(c2ccccc2)c2ccccc2)c2ncn(C3CCCCO3)c2n1

HCID10159391

6-[(2,2-Diphenylethyl)amino]-9-(tetrahydro-2H-pyran-2-yl)-9H-purine-2-carbonitrile

C25H24N6O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9415a32e7364d7ba3703012db4f09f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[K:35][C:36]#[N:37].[OH2:38].[c:1]1([CH:7]([CH2:8][NH:9][c:10]2[c:11]3[n:12][cH:13][n:14]([CH:23]4[O:24][CH2:25][CH2:26][CH2:27][CH2:28]4)[c:15]3[n:16][c:17]([S:19]([CH3:20])(=[O:21])=[O:22])[n:18]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([CH2:8][NH:9][c:10]2[c:11]3[n:12][cH:13][n:14]([CH:23]4[O:24][CH2:25][CH2:26][CH2:27][CH2:28]4)[c:15]3[n:16][c:17]([C:36]#[N:37])[n:18]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1