HRID153174

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID9877845

(4-amino-benzyl)-methyl-(tetrahydro-pyran -4-yl)-amine

C13H20N2O

HCID18472584

未命名化合物

PRODUCTS

生成物

结构：CN(Cc1ccc(NC(=O)C2=Cc3cc(-c4ccco4)ccc3OCC2)cc1)C1CCOCC1

HCID21715708

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3405de2c21a6430bbeb37c056bf8c8ac
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

[CH3:20][N:21]([CH:22]1[CH2:23][CH2:24][O:25][CH2:26][CH2:27]1)[CH2:28][c:29]1[cH:30][cH:31][c:32]([NH2:33])[cH:34][cH:35]1.[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[P:43]([C:44]#[N:45])([O:46][CH2:47][CH3:48])([O:49][CH2:50][CH3:51])=[O:52].[o:1]1[c:2](-[c:6]2[cH:7][cH:8][c:9]3[c:10]([cH:19]2)[CH:11]=[C:12]([C:16](=[O:17])[OH:18])[CH2:13][CH2:14][O:15]3)[cH:3][cH:4][cH:5]1>>[o:1]1[c:2](-[c:6]2[cH:7][cH:8][c:9]3[c:10]([cH:19]2)[CH:11]=[C:12]([C:16](=[O:18])[NH:33][c:32]2[cH:31][cH:30][c:29]([CH2:28][N:21]([CH3:20])[CH:22]4[CH2:23][CH2:24][O:25][CH2:26][CH2:27]4)[cH:35][cH:34]2)[CH2:13][CH2:14][O:15]3)[cH:3][cH:4][cH:5]1