HRID114612

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：OB(O)c1cc(C(F)(F)F)ccc1OCc1ccc(F)cc1F

HCID21112905

未命名化合物

HCID69507797

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cc(C2=C(c3cc(C(F)(F)F)ccc3OCc3ccc(F)cc3F)CCC2)ccc1N

HCID69507662

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1fb55448e4241169a15871f65b3011a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:24]([CH3:25])[O:26][C:27]([c:28]1[cH:29][c:30]([C:35]2=[C:36]([Br:40])[CH2:37][CH2:38][CH2:39]2)[cH:31][cH:32][c:33]1[NH2:34])=[O:41].[F:1][c:2]1[c:3]([CH2:4][O:5][c:6]2[c:7]([B:16]([OH:17])[OH:18])[cH:8][c:9]([C:12]([F:13])([F:14])[F:15])[cH:10][cH:11]2)[cH:19][cH:20][c:21]([F:23])[cH:22]1>>[F:1][c:2]1[c:3]([CH2:4][O:5][c:6]2[c:7]([C:36]3=[C:35]([c:30]4[cH:29][c:28]([C:27]([O:26][CH2:24][CH3:25])=[O:41])[c:33]([NH2:34])[cH:32][cH:31]4)[CH2:39][CH2:38][CH2:37]3)[cH:8][c:9]([C:12]([F:13])([F:14])[F:15])[cH:10][cH:11]2)[cH:19][cH:20][c:21]([F:23])[cH:22]1