HRID96399

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID136288

2-Fluorobenzhydrazide

C7H7FN2O

结构：CCOC1=Nc2ccccc2N(CC(=O)N(c2ccccc2)C(C)C)C(=O)C1

HCID58957936

未命名化合物

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)Cc2nnc(-c3ccccc3F)n2-c2ccccc21)c1ccccc1

HCID69314043

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1931b692a60455f948010393af09249
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

[CH2:35]([O:36][C:37]1=[N:61][c:60]2[c:55]([cH:56][cH:57][cH:58][cH:59]2)[N:41]([CH2:42][C:43]([N:44]([CH:45]([CH3:46])[CH3:47])[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)=[O:54])[C:39](=[O:40])[CH2:38]1)[CH3:62].[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.[F:63][c:64]1[cH:65][cH:66][cH:67][cH:68][c:69]1[C:70]([NH:71][NH2:72])=[O:73]>>[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[c:19]([F:63])[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