HRID292553

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID320405

3-Phenyl-2-(phenylsulfonyl)-1,2-oxaziridine

C13H11NO3S

结构：COc1cc(OCC(=O)O)c(C)cc1SCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

HCID9825600

未命名化合物

结构：COC(=O)COc1cc(OC)c(S(=O)Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1C

HCID20827054

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OCC(=O)O)c(C)cc1S(=O)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

HCID22280006

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d70ddb2a6024d21abf2f3dafd0d5d11
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

[CH3:1][O:2][C:3]([CH2:4][O:5][c:6]1[c:7]([CH3:33])[cH:8][c:9]([S:14](=[O:15])[CH2:16][c:17]2[cH:18][cH:19][c:20](-[c:23]3[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]3)[cH:21][cH:22]2)[c:10]([O:12][CH3:13])[cH:11]1)=[O:34].[CH3:35][O:36][c:37]1[c:38]([S:39][CH2:40][c:41]2[cH:42][cH:43][c:44](-[c:45]3[cH:46][cH:47][c:48]([C:49]([F:50])([F:51])[F:52])[cH:53][cH:54]3)[cH:55][cH:56]2)[cH:57][c:58]([CH3:59])[c:60]([O:62][CH2:63][C:64]([OH:65])=[O:66])[cH:61]1.[Cl:86][CH2:87][Cl:88].[OH2:85].[c:67]1([S:68]([N:69]2[CH:70]([c:71]3[cH:72][cH:73][cH:74][cH:75][cH:76]3)[O:77]2)(=[O:78])=[O:79])[cH:80][cH:81][cH:82][cH:83][cH:84]1>>[O:2]=[C:3]([CH2:4][O:5][c:6]1[c:7]([CH3:33])[cH:8][c:9]([S:14](=[O:15])[CH2:16][c:17]2[cH:18][cH:19][c:20](-[c:23]3[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]3)[cH:21][cH:22]2)[c:10]([O:12][CH3:13])[cH:11]1)[OH:34]