HRID211240

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID123061

1-(Bromomethyl)-3-(trifluoromethyl)benzene

C8H6BrF3

HCID10855372

Prop-1-en-2-ylboronic Acid

C3H7BO2

结构：CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NCc4ccc(B5OC(C)(C)C(C)(C)O5)cc4)cc3)oc12

HCID25153635

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NCc4ccc(Cc5cccc(C(F)(F)F)c5)cc4)cc3)oc12

HCID25152582

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1fa184f683044f26bc49b5a9bbfdc190
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

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