HRID101105

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6331

Borane

H3B

HCID8028

Tetrahydrofuran

C4H8O

HCID498716

未命名化合物

HCID10725881

N-BOC-(methylamino)acetaldehyde

C8H15NO3

结构：COc1ccccc1CCOc1cc(C(F)(F)F)nn1-c1cccc(C#N)c1

HCID69300912

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1CCOc1cc(C(F)(F)F)nn1-c1cccc(CNCCN(C)C(=O)OC(C)(C)C)c1

HCID69094739

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a9c5b0e4cd9242ba9517c8adae8697d3
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

[BH3:29].[C:46]([BH3-:47])#[N:48].[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:1][O:2][c:3]1[c:4]([CH2:5][CH2:6][O:7][c:8]2[cH:9][c:10]([C:21]([F:22])([F:23])[F:24])[n:11][n:12]2-[c:13]2[cH:14][c:15]([C:16]#[N:17])[cH:18][cH:19][cH:20]2)[cH:25][cH:26][cH:27][cH:28]1.[CH3:30][N:31]([C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[CH2:39][CH:40]=[O:41].[CH3:42][C:43](=[O:44])[OH:45].[CH3:55][OH:56].[Na+:49]>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][CH2:6][O:7][c:8]2[cH:9][c:10]([C:21]([F:22])([F:23])[F:24])[n:11][n:12]2-[c:13]2[cH:14][c:15]([CH2:16][NH:17][CH2:40][CH2:39][N:31]([CH3:30])[C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[cH:18][cH:19][cH:20]2)[cH:25][cH:26][cH:27][cH:28]1