HRID92561

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID285645

4-Fluorophenylboronic acid

C6H6BFO2

结构：Brc1ccc2c(c1)C1(CCCCC1)C(=NOCc1ccccc1)N2

HCID178419047

未命名化合物

PRODUCTS

生成物

结构：Fc1ccc(-c2ccc3c(c2)C2(CCCCC2)C(=NOCc2ccccc2)N3)cc1

HCID178418882

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df922cbeda194c6ca9fe4e35bb7b023d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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