HRID1239253

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID44754762

(3-Methylpyridin-4-yl)boronic acid

C6H8BNO2

结构：O=S(=O)(Oc1cccc2c1CC(N(Cc1ccccc1)Cc1ccccc1)CO2)C(F)(F)F

HCID74421935

未命名化合物

PRODUCTS

生成物

结构：Cc1cnccc1-c1cccc2c1CC(N(Cc1ccccc1)Cc1ccccc1)CO2

HCID140551734

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3b6339fbd384a49867074e0baf42b54
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

[CH3:1][c:2]1[cH:3][n:4][cH:5][cH:6][c:7]1[B:8]([OH:9])[OH:10].[F:11][C:12]([F:13])([F:14])[S:15]([O:16][c:17]1[c:18]2[c:23]([cH:24][cH:25][cH:26]1)[O:22][CH2:21][CH:20]([N:27]([CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[CH2:19]2)(=[O:42])=[O:43]>>[CH3:1][c:2]1[cH:3][n:4][cH:5][cH:6][c:7]1-[c:17]1[c:18]2[c:23]([cH:24][cH:25][cH:26]1)[O:22][CH2:21][CH:20]([N:27]([CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[CH2:19]2