HRID117891

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

结构：CN(C)c1ccc(-c2ccc3c(c2)C=C(C(=O)O)CCO3)cc1

HCID18472540

未命名化合物

PRODUCTS

生成物

结构：CN(C)c1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCO3)cc1

HCID18472596

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb4cde145808420c8d29b7466ebaf4da
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][N:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:22]2)[CH:14]=[C:15]([C:19](=[O:20])[OH:21])[CH2:16][CH2:17][O:18]3)[cH:7][cH:8]1)[CH3:23].[CH3:24][N:25]([CH:26]1[CH2:27][CH2:28][O:29][CH2:30][CH2:31]1)[CH2:32][c:33]1[cH:34][cH:35][c:36]([NH2:37])[cH:38][cH:39]1.[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[P:47]([C:48]#[N:49])([O:50][CH2:51][CH3:52])([O:53][CH2:54][CH3:55])=[O:56]>>[CH3:1][N:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:22]2)[CH:14]=[C:15]([C:19](=[O:20])[NH:37][c:36]2[cH:35][cH:34][c:33]([CH2:32][N:25]([CH3:24])[CH:26]4[CH2:27][CH2:28][O:29][CH2:30][CH2:31]4)[cH:39][cH:38]2)[CH2:16][CH2:17][O:18]3)[cH:7][cH:8]1)[CH3:23]