HRID1236158

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2773987

1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C10H17BN2O2

结构：Brc1cccc2c1CC(N(Cc1ccccc1)Cc1ccccc1)CC2

HCID18622522

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(-c2cccc3c2CC(N(Cc2ccccc2)Cc2ccccc2)CC3)cn1

HCID140551727

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e85d7103d794588b8d1a5105a3e43db
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[N:23]([CH:24]1[CH2:25][c:26]2[c:27]([Br:34])[cH:28][cH:29][cH:30][c:31]2[CH2:32][CH2:33]1)[CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[CH3:1][n:2]1[n:3][cH:4][c:5]([B:7]2[O:8][C:9]([CH3:10])([CH3:11])[C:12]([CH3:13])([CH3:14])[O:15]2)[cH:6]1>>[CH3:1][n:2]1[n:3][cH:4][c:5](-[c:27]2[c:26]3[c:31]([cH:30][cH:29][cH:28]2)[CH2:32][CH2:33][CH:24]([N:23]([CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[CH2:25]3)[cH:6]1