HRID134750

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734337

3,4-Difluorophenylboronic acid

C6H5BF2O2

结构：FC(F)(F)c1cc2[nH]c(N3CCN(c4ncccc4C(F)(F)F)CC3)nc2cc1Br

HCID11511572

未命名化合物

PRODUCTS

生成物

结构：Fc1ccc(-c2cc3nc(N4CCN(c5ncccc5C(F)(F)F)CC4)[nH]c3cc2C(F)(F)F)cc1F

HCID57835146

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af87c2d205454b5dba1c459a3eb441d8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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