HRID695408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID521913

2-Propanamine, N,N-diethyl-

C7H17N

HCID21991151

未命名化合物

结构：CCCC1CC(NC(=O)OC(C)(C)C)CCC1N1CCC(N)C1=O

HCID178439397

未命名化合物

PRODUCTS

生成物

结构：CCCC1CC(NC(=O)OC(C)(C)C)CCC1N1CCC(NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C1=O

HCID178439399

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41235809531d455d800945218c8e21f5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH:10]([CH2:21][CH2:22][CH3:23])[CH:11]([N:14]2[C:15](=[O:20])[CH:16]([NH2:19])[CH2:17][CH2:18]2)[CH2:12][CH2:13]1)=[O:24].[CH2:45]([N:46]([CH:47]([CH3:48])[CH3:49])[CH2:50][CH3:51])[CH3:52].[CH:25]([CH3:26])([CH3:27])[NH:28][C:29]([NH:30][c:31]1[c:32]([C:33](=[O:34])[OH:35])[cH:36][c:37]([C:40]([F:41])([F:42])[F:43])[cH:38][cH:39]1)=[O:44].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH:10]([CH2:21][CH2:22][CH3:23])[CH:11]([N:14]2[C:15](=[O:20])[CH:16]([NH:19][C:33]([c:32]3[c:31]([NH:30][C:29]([NH:28][CH:25]([CH3:26])[CH3:27])=[O:44])[cH:39][cH:38][c:37]([C:40]([F:41])([F:42])[F:43])[cH:36]3)=[O:34])[CH2:17][CH2:18]2)[CH2:12][CH2:13]1)=[O:24]