HRID154080

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734625

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

C13H16BNO2

结构：COC(=O)c1cc(Br)ccc1NC(=O)COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1

HCID51040586

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(-c2ccc(C#N)cc2)ccc1NC(=O)COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1

HCID67165281

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-deae66a691d0471d970a6f3bd02b75d5
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

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