HRID305756

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734671

3,4,5-Trifluorophenylboronic acid

C6H4BF3O2

结构：FC(F)(F)c1cc(Br)c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c1

HCID11670445

未命名化合物

PRODUCTS

生成物

结构：Fc1cc(-c2cc(C(F)(F)F)cc3[nH]c(N4CCN(c5ncccc5C(F)(F)F)CC4)nc23)cc(F)c1F

HCID11584749

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9da8bd4ad3ce4ecb848009fa24469a04
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([C:27]([F:28])([F:29])[F:30])[cH:5][c:6]2[nH:7][c:8]([N:11]3[CH2:12][CH2:13][N:14]([c:17]4[n:18][cH:19][cH:20][cH:21][c:22]4[C:23]([F:24])([F:25])[F:26])[CH2:15][CH2:16]3)[n:9][c:10]12.[F:31][c:32]1[cH:33][c:34]([B:40]([OH:41])[OH:42])[cH:35][c:36]([F:39])[c:37]1[F:38]>>[c:2]1(-[c:34]2[cH:33][c:32]([F:31])[c:37]([F:38])[c:36]([F:39])[cH:35]2)[cH:3][c:4]([C:27]([F:28])([F:29])[F:30])[cH:5][c:6]2[nH:7][c:8]([N:11]3[CH2:12][CH2:13][N:14]([c:17]4[n:18][cH:19][cH:20][cH:21][c:22]4[C:23]([F:24])([F:25])[F:26])[CH2:15][CH2:16]3)[n:9][c:10]12