HRID1569976

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10804951

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)C(Cc2nn(C(=O)OC(C)(C)C)c3ccccc23)c2nnc(-c3ccccc3)n2-c2ccccc21)c1ccccc1

HCID69314041

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ad8d9b5dec04a59b96a7f6ba73b58f0
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

[C:35]([CH3:36])([CH3:37])([CH3:38])[O:39][C:40](=[O:41])[n:42]1[n:43][c:44]([CH2:51][Br:52])[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]12.[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: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[CH:15]([CH2:51][c:44]2[n:43][n:42]([C:40]([O:39][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:41])[c:50]3[c:45]2[cH:46][cH:47][cH:48][cH:49]3)[C:16]1=[O:17])=[O:28])[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1