HRID1570450

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID7301

2-Methyltetrahydrofuran

C5H10O

HCID8857

Ethyl acetate

C4H8O2

HCID204484

Propylphosphonic acid

C3H9O3P

HCID15618556

未命名化合物

HCID59316233

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(N2C3CCC2CC3)ncc1NC(=O)c1c[nH]c2cccc(C)c2c1=O

HCID45259022

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa34ae43b544494c8ea642b0ff204633
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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