HRID1240317

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID674

Dimethylamine

C2H7N

HCID887

Methanol

CH4O

HCID6331

Borane

H3B

HCID58762554

6-Chloro[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde

C6H3ClN4O

结构：N#CC1(c2ccc(CCC3(C4CCCC4)CC(=O)CC(=O)O3)cc2F)CC1

HCID58762706

未命名化合物

PRODUCTS

生成物

结构：N#CC1(c2ccc(CCC3(C4CCCC4)CC(=O)C(Cc4nc5ncc(Cl)cn5n4)C(=O)O3)cc2F)CC1

HCID11203447

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e2c633beca641eebaf310c15d6194c3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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