HRID205848

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID2063338

(3,5-Dimethyl-1,2-oxazol-4-yl)acetic acid

C7H9NO3

结构：CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(N)cc2F)CC1

HCID58157307

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)Cc3c(C)noc3C)cc2F)CC1

HCID16667181

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cafa5353d2324b67b8f7e3823e96089b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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