HRID701388

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9773

Ethanamine, 2,2,2-trifluoro-

C2H4F3N

结构：CC(C)(C)OC(=O)C1CN(Cc2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(=O)O)n3)cc2)C1

HCID67459061

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C1CN(Cc2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(=O)NCC(F)(F)F)n3)cc2)C1

HCID67458998

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bbdb8703816448feb32c708478c2c4f2
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](=[O:7])[CH:8]1[CH2:9][N:10]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[n:20][o:21][c:22](-[c:24]4[c:25]([C:35](=[O:36])[OH:37])[c:26](-[c:29]5[cH:30][cH:31][cH:32][cH:33][cH:34]5)[n:27][o:28]4)[n:23]3)[cH:17][cH:18]2)[CH2:11]1.[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[F:38][C:39]([CH2:40][NH2:41])([F:42])[F:43].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]1[CH2:9][N:10]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[n:20][o:21][c:22](-[c:24]4[c:25]([C:35](=[O:37])[NH:41][CH2:40][C:39]([F:38])([F:42])[F:43])[c:26](-[c:29]5[cH:30][cH:31][cH:32][cH:33][cH:34]5)[n:27][o:28]4)[n:23]3)[cH:17][cH:18]2)[CH2:11]1