HRID815300

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+

HCID1112

Succinic semialdehyde

C4H6O3

HCID498716

未命名化合物

结构：CC(C)(C)C1Cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2N1

HCID59129238

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C1Cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2N1CCCC(=O)O

HCID59129481

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c2ca170fad24495292e65ad5c01229c5
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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