HRID113925

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID5372812

1H-Pyrrolo[2,3-b]pyridine-3-carbaldehyde

C8H6N2O

结构：CC(C)N(C(=O)CN1C(=O)Cc2nnc(-c3ccccc3)n2-c2ccccc21)c1ccccc1

HCID58957944

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(C(=O)CN1C(=O)C(=Cc2c[nH]c3ncccc23)c2nnc(-c3ccccc3)n2-c2ccccc21)c1ccccc1

HCID136352449

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16bdc31198ef4f68946d3c7e5289b884
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

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