HRID293857

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID12742

n-Nonyl bromide

C9H19Br

HCID4574913

未命名化合物

结构：CCCCCCc1ccc(-c2cnc(-c3ccc(O)c(F)c3)cn2)cc1

HCID135736654

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCCOc1ccc(-c2cnc(-c3ccc(CCCCCC)cc3)cn2)cc1F

HCID14716100

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51964b3cfca84c5580709722479055df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:33]([CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41])[Br:42].[CH3:27][C:28]([CH3:29])([O-:30])[CH3:31].[CH3:43][S:44](=[O:45])[CH3:46].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[F:1][c:2]1[cH:3][c:4](-[c:9]2[n:10][cH:11][c:12](-[c:15]3[cH:16][cH:17][c:18]([CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])[cH:19][cH:20]3)[n:13][cH:14]2)[cH:5][cH:6][c:7]1[OH:8].[K+:32].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1>>[F:1][c:2]1[cH:3][c:4](-[c:9]2[n:10][cH:11][c:12](-[c:15]3[cH:16][cH:17][c:18]([CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])[cH:19][cH:20]3)[n:13][cH:14]2)[cH:5][cH:6][c:7]1[O:8][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41]