HRID1201728

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7953

2,4,6-Trimethylpyridine

C8H11N

HCID66025

N-Phenylglycine

C8H9NO2

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

结构：Cc1onc2c1c(=O)n(C1CCCC(N)C1)c1cccc(Cl)c21

HCID22713714

未命名化合物

PRODUCTS

生成物

结构：Cc1onc2c1c(=O)n(C1CCCC(NC(=O)CNc3ccccc3)C1)c1cccc(Cl)c21

HCID22713799

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2502356ca7184bee8a4f3755fe4a5c3e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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