HRID2335991

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16109188

未命名化合物

结构：O=C(O)c1cnc(-c2ccc(C(F)(F)F)cc2)cc1C(F)(F)F

HCID21935758

未命名化合物

结构：COC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)cc1C(F)(F)F

HCID76852878

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1ccc(CNC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)cc2C(F)(F)F)cc1

HCID86597817

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f27d1d65731e410780cd6e53fe9d08f0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][NH2:16])[cH:13][cH:14]1)=[O:17].[CH3:41][O:42][C:43](=[O:44])[c:45]1[c:46]([C:47]([F:48])([F:49])[F:50])[cH:51][c:52](-[c:53]2[cH:54][cH:55][c:56]([C:57]([F:58])([F:59])[F:60])[cH:61][cH:62]2)[n:63][cH:64]1.[F:18][C:19]([c:20]1[cH:21][c:22](-[c:29]2[cH:30][cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]2)[n:23][cH:24][c:25]1[C:26](=[O:27])[OH:28])([F:39])[F:40]>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][NH:16][C:26]([c:25]2[c:20]([C:19]([F:18])([F:39])[F:40])[cH:21][c:22](-[c:29]3[cH:30][cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]3)[n:23][cH:24]2)=[O:27])[cH:13][cH:14]1)=[O:17]