HRID114547

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

HCID25232343

未命名化合物

PRODUCTS

生成物

结构：CCC(C#N)(CC)c1ccc(CCC2(C3CCCC3)CC(=O)C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc1F

HCID68866460

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b33382dbf834085a33cfcd569deba5e
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

[BH3:46].[CH3:30][c:31]1[n:32][c:33]2[n:34]([c:35]([CH3:37])[cH:36]1)[n:38][c:39]([CH:41]=[O:42])[n:40]2.[CH3:43][NH:44][CH3:45].[CH3:47][OH:48].[CH:1]1([C:6]2([CH2:14][CH2:15][c:16]3[cH:17][c:18]([F:29])[c:19]([C:22]([C:23]#[N:24])([CH2:25][CH3:26])[CH2:27][CH3:28])[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:29])[c:19]([C:22]([C:23]#[N:24])([CH2:25][CH3:26])[CH2:27][CH3:28])[cH:20][cH:21]3)[O:7][C:8](=[O:13])[CH:9]([CH2:41][c:39]3[n:38][n:34]4[c:33]([n:32][c:31]([CH3:30])[cH:36][c:35]4[CH3:37])[n:40]3)[C:10](=[O:12])[CH2:11]2)[CH2:2][CH2:3][CH2:4][CH2:5]1