HRID209194

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CN1CCN(C(=O)C=Cc2cc(C(F)(F)F)cc3ncn(-c4ccccc4)c23)CC1

HCID67484930

未命名化合物

结构：COC(=O)C=Cc1cccc2nc(C(F)(F)F)n(-c3ccccc3)c12

HCID68679686

未命名化合物

PRODUCTS

生成物

结构：O=C(C=Cc1cc(C(F)(F)F)cc2ncn(-c3ccccc3)c12)N1CCOCC1

HCID67485635

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a56b2cfbba3447ea85ea742a3a7777b3
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][O:2][C:3](=[O:4])[CH:5]=[CH:6][c:7]1[c:8]2[n:9](-[c:10]3[cH:11][cH:12][cH:13][cH:14][cH:15]3)[c:16]([C:17]([F:18])([F:19])[F:20])[n:21][c:22]2[cH:23][cH:24][cH:25]1.[CH3:26][N:27]1[CH2:28][CH2:29][N:30]([C:33]([CH:34]=[CH:35][c:36]2[cH:37][c:38]([C:51]([F:52])([F:53])[F:54])[cH:39][c:40]3[n:41][cH:42][n:43](-[c:45]4[cH:46][cH:47][cH:48][cH:49][cH:50]4)[c:44]23)=[O:55])[CH2:31][CH2:32]1>>[O:2]1[CH2:28][CH2:29][N:30]([C:33]([CH:34]=[CH:35][c:36]2[cH:37][c:38]([C:51]([F:52])([F:53])[F:54])[cH:39][c:40]3[n:41][cH:42][n:43](-[c:45]4[cH:46][cH:47][cH:48][cH:49][cH:50]4)[c:44]23)=[O:55])[CH2:31][CH2:32]1