HRID166145

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：CC(C)(c1cc(NC(=O)Oc2ccccc2)no1)C(F)(F)F

HCID66877298

未命名化合物

HCID136337771

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)ncnc2cc1O

HCID136073751

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0928ff1e0a264f4785299d6cc1376f62
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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