HRID1203561

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID760

Glyoxylic acid

C2H2O3

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID498716

未命名化合物

结构：CC1(C)CNC(C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1

HCID67164209

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CN(CC(=O)O)C(C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1

HCID59337527

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-460e4903f7b44e789c88f067fd44b38b
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

[C:33]([BH3-:34])#[N:35].[C:37]([CH:38]=[O:39])(=[O:40])[OH:41].[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH3:42][OH:43].[Cl:1][c:2]1[cH:3][c:4]2[c:5]3[cH:6][cH:7][n:8][cH:9][c:10]3[nH:11][c:12]2[c:13]([NH:15][C:16](=[O:17])[CH:18]2[CH2:19][O:20][C:21]([CH3:24])([CH3:25])[CH2:22][NH:23]2)[cH:14]1.[Na+:36].[OH2:44]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]3[cH:6][cH:7][n:8][cH:9][c:10]3[nH:11][c:12]2[c:13]([NH:15][C:16](=[O:17])[CH:18]2[CH2:19][O:20][C:21]([CH3:24])([CH3:25])[CH2:22][N:23]2[CH2:38][C:37](=[O:40])[OH:41])[cH:14]1