HRID296317

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID674

Dimethylamine

C2H7N

HCID887

Methanol

CH4O

HCID6331

Borane

H3B

HCID23635226

5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde

C8H8N4O

结构：CC(C)(C#N)c1ccc(CCC2(C3CCCC3)CC(=O)CC(=O)O2)cc1F

HCID58762423

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)n2nc(CC3=C(O)CC(CCc4ccc(C(C)(C)C#N)c(F)c4)(C4CCCC4)OC3=O)nc2n1

HCID54708834

4-[2-[2-Cyclopentyl-5-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3,6-dihydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-2-fluoro-α,α-dimethylbenzeneacetonitrile

C30H34FN5O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f32933262ad45afb9640d18ff807381
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

[BH3:44].[CH3:28][c:29]1[n:30][c:31]2[n:32]([c:33]([CH3:35])[cH:34]1)[n:36][c:37]([CH:39]=[O:40])[n:38]2.[CH3:41][NH:42][CH3:43].[CH3:45][OH:46].[CH:1]1([C:6]2([CH2:14][CH2:15][c:16]3[cH:17][c:18]([F:27])[c:19]([C:22]([C:23]#[N:24])([CH3:25])[CH3:26])[cH:20][cH:21]3)[O:7][C:8](=[O:13])[CH2:9][C:10](=[O:12])[CH2:11]2)[CH2:2][CH2:3][CH2:4][CH2:5]1>>[CH:1]1([C:6]2([CH2:14][CH2:15][c:16]3[cH:17][c:18]([F:27])[c:19]([C:22]([C:23]#[N:24])([CH3:25])[CH3:26])[cH:20][cH:21]3)[O:7][C:8](=[O:13])[C:9]([CH2:39][c:37]3[n:36][n:32]4[c:31]([n:30][c:29]([CH3:28])[cH:34][c:33]4[CH3:35])[n:38]3)=[C:10]([OH:12])[CH2:11]2)[CH2:2][CH2:3][CH2:4][CH2:5]1