HRID2345084

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID712

Formaldehyde

CH2O

HCID8083

Morpholine

C4H9NO

结构：Nc1ncnn2cc(C(=O)NCC(F)(F)F)c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)n4)cc3)c12

HCID57758344

未命名化合物

PRODUCTS

生成物

结构：Nc1ncnn2c(CN3CCOCC3)c(C(=O)NCC(F)(F)F)c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)n4)cc3)c12

HCID57955256

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c58701fab4eb463a97af6c881aade785
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

[CH2:1]1[CH2:2][O:3][CH2:4][CH2:5][NH:6]1.[CH2:7]=[O:8].[CH3:47][C:48](=[O:49])[OH:50].[NH2:9][c:10]1[n:11][cH:12][n:13][n:14]2[c:15]1[c:16](-[c:27]1[cH:28][cH:29][c:30]([NH:33][C:34](=[O:35])[NH:36][c:37]3[n:38][c:39]([C:43]([F:44])([F:45])[F:46])[cH:40][cH:41][cH:42]3)[cH:31][cH:32]1)[c:17]([C:19](=[O:20])[NH:21][CH2:22][C:23]([F:24])([F:25])[F:26])[cH:18]2>>[CH2:1]1[CH2:2][O:3][CH2:4][CH2:5][N:6]1[CH2:7][c:18]1[n:14]2[n:13][cH:12][n:11][c:10]([NH2:9])[c:15]2[c:16](-[c:27]2[cH:28][cH:29][c:30]([NH:33][C:34](=[O:35])[NH:36][c:37]3[n:38][c:39]([C:43]([F:44])([F:45])[F:46])[cH:40][cH:41][cH:42]3)[cH:31][cH:32]2)[c:17]1[C:19](=[O:20])[NH:21][CH2:22][C:23]([F:24])([F:25])[F:26]