HRID206840

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6385

tert-Butylamine

C4H11N

HCID6422

未命名化合物

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1cc(OCCNc2ccncc2)cc(C(=O)N(CCC(=O)O)C(C)C)c1

HCID18348859

未命名化合物

PRODUCTS

生成物

HCID6422

未命名化合物

结构：Cc1cc(OCCNc2ccncc2)cc(C(=O)N(CCC(=O)NC(C)(C)C)C(C)C)c1

HCID18349008

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4b19f97166b474aa48aab947f8e04b6
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

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