HRID2312151

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID136582

3-Penten-1-ol, 4-methyl-

C6H12O

结构：Cc1ccc(S(=O)(=O)Oc2c(-c3ccc(S(C)(=O)=O)cc3)cnn(-c3ccc(F)cc3)c2=O)cc1

HCID21933854

未命名化合物

PRODUCTS

生成物

结构：CC(C)=CCCOc1c(-c2ccc(S(C)(=O)=O)cc2)cnn(-c2ccc(F)cc2)c1=O

HCID21934329

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc9f3f71d5d74093887b83b1970225b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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