HRID2321261

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Oc2ccccc2)cc1

HCID11057211

未命名化合物

反应SMILES：NCc1cc(F)ccc1Oc1ccc2c(cnn2CCO)c1

HCID44542122

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)NCc2cc(F)ccc2Oc2ccc3c(cnn3CCO)c2)cc1

HCID24765037

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6597e6be56cf45bfa5416554ca004e5f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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