HRID159374

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID7504

Benzylamine

C7H9N

结构：CCOP(=O)(OCC)C(CC(=O)CC)P(=O)(OCC)OCC

HCID12499407

未命名化合物

HCID13067772

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(OCC)C(CC(CC)NCc1ccccc1)P(=O)(OCC)OCC

HCID19689047

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9bedc236155446d5a1daef4ac898e7c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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