HRID1139551

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID8471

Triethylamine

C6H15N

HCID498716

未命名化合物

结构：CCOC(=O)C1CCS(=O)(=O)N1Cc1cccc(C=O)c1

HCID58280449

未命名化合物

HCID72283031

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CCS(=O)(=O)N1Cc1cccc(CNC(CN(C)C)CC(C)(C)C)c1

HCID178469420

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-886062953adc41f69aadf483fe591b34
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:41]([BH3-:42])#[N:43].[CH2:20]([CH3:21])[O:22][C:23](=[O:24])[CH:25]1[N:26]([CH2:32][c:33]2[cH:34][c:35]([CH:39]=[O:40])[cH:36][cH:37][cH:38]2)[S:27](=[O:30])(=[O:31])[CH2:28][CH2:29]1.[CH3:13][CH2:14][N:15]([CH2:16][CH3:17])[CH2:18][CH3:19].[CH3:2][C:3]([CH2:4][CH:5]([CH2:6][N:7]([CH3:8])[CH3:9])[NH2:10])([CH3:11])[CH3:12].[CH3:45][OH:46].[CH3:47][C:48](=[O:49])[OH:50].[ClH:1].[Na+:44]>>[CH3:2][C:3]([CH2:4][CH:5]([CH2:6][N:7]([CH3:8])[CH3:9])[NH:10][CH2:39][c:35]1[cH:34][c:33]([CH2:32][N:26]2[CH:25]([C:23]([O:22][CH2:20][CH3:21])=[O:24])[CH2:29][CH2:28][S:27]2(=[O:30])=[O:31])[cH:38][cH:37][cH:36]1)([CH3:11])[CH3:12]