HRID140065

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID156265

3,5-Bis-trifluoromethylphenylboronic acid

C8H5BF6O2

结构：CC(Nc1nccc(-n2cnc3cc(I)ccc32)n1)c1ccccc1

HCID18375601

未命名化合物

PRODUCTS

生成物

结构：CC(Nc1nccc(-n2cnc3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)n1)c1ccccc1

HCID18375983

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ef7d39401c841f49aabb81562746780
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

[F:26][C:27]([c:28]1[cH:29][c:30]([B:38]([OH:39])[OH:40])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]1)([F:41])[F:42].[c:1]1([CH:7]([CH3:8])[NH:9][c:10]2[n:11][cH:12][cH:13][c:14](-[n:16]3[cH:17][n:18][c:19]4[c:20]3[cH:21][cH:22][c:23]([I:25])[cH:24]4)[n:15]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([CH3:8])[NH:9][c:10]2[n:11][cH:12][cH:13][c:14](-[n:16]3[cH:17][n:18][c:19]4[c:20]3[cH:21][cH:22][c:23](-[c:30]3[cH:29][c:28]([C:27]([F:26])([F:41])[F:42])[cH:33][c:32]([C:34]([F:35])([F:36])[F:37])[cH:31]3)[cH:24]4)[n:15]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1