HRID106214

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10256

1H-Indole-3-carboxaldehyde

C9H7NO

结构：CC(C)N(C(=O)CN1C(=O)Cc2nnc(-c3ccccc3F)n2-c2ccccc21)c1ccccc1

HCID69314043

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(C(=O)CN1C(=O)C(Cc2c[nH]c3ccccc23)c2nnc(-c3ccccc3F)n2-c2ccccc21)c1ccccc1

HCID23660497

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-328dccef684e445289132a12511ddda2
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

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