HRID1566386

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16756990

Ethyl 2-(4-hydroxy-2-methylphenoxy)-2-methylpropanoate

C13H18O4

结构：OC(c1ccccc1)c1csc(-c2ccc(C(F)(F)F)cc2)c1

HCID21986317

未命名化合物

结构：CCC(Oc1ccc(SCc2coc(-c3ccc(C(F)(F)F)cc3)c2)cc1C)C(=O)[O-]

HCID86593924

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1ccc(OC(c2ccccc2)c2csc(-c3ccc(C(F)(F)F)cc3)c2)cc1C

HCID21986485

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df6786129c2244dabaca7261260dd6c2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:1]([CH:2]([O:3][c:4]1[cH:5][cH:6][c:7]([S:8][CH2:9][c:10]2[cH:11][c:12](-[c:13]3[cH:14][cH:15][c:16]([C:17]([F:18])([F:19])[F:20])[cH:21][cH:22]3)[o:23][cH:24]2)[cH:25][c:26]1[CH3:27])[C:28]([O-:29])=[O:30])[CH3:31].[OH:32][c:33]1[cH:34][c:35]([CH3:48])[c:36]([O:37][C:38]([C:39](=[O:40])[O:41][CH2:42][CH3:43])([CH3:44])[CH3:45])[cH:46][cH:47]1.[c:49]1([CH:55]([OH:56])[c:57]2[cH:58][s:59][c:60](-[c:62]3[cH:63][cH:64][c:65]([C:68]([F:69])([F:70])[F:71])[cH:66][cH:67]3)[cH:61]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[O:32]([c:33]1[cH:34][c:35]([CH3:48])[c:36]([O:37][C:38]([C:39](=[O:40])[O:41][CH2:42][CH3:43])([CH3:44])[CH3:45])[cH:46][cH:47]1)[CH:55]([c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)[c:57]1[cH:58][s:59][c:60](-[c:62]2[cH:63][cH:64][c:65]([C:68]([F:69])([F:70])[F:71])[cH:66][cH:67]2)[cH:61]1