Dimethyl Sulfoxide → HCID 23074471, compound

HRID 203440Notes

Reaction equation

HRID 203440 reaction equation
[CH3:1][c:2]1[o:3][c:4](-[c:12]2[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[cH:5][c:6]1[CH2:7][CH2:8][CH2:9][CH2:10][OH:11].[CH3:38][C:39](=[CH:40][CH3:41])[CH3:42].[CH3:50][S:51]([CH3:52])=[O:53].[CH3:54][CH2:55][O:56][CH2:57][CH3:58].[CH3:59][C:60]([OH:61])([CH3:62])[CH3:63].[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[CH3:71][CH2:72][N:73]([CH2:74][CH3:75])[CH2:76][CH3:77].[Cl+:43]([O-:44])[O-:45].[Cl:47][CH2:48][Cl:49].[Na+:32].[Na+:46].[OH2:70].[OH:33][P:34](=[O:35])([O-:36])[OH:37].[S:28](=[O:29])(=[O:30])=[O:31].[n:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1>>[CH3:1][c:2]1[o:3][c:4](-[c:12]2[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[cH:5][c:6]1[CH2:7][CH2:8][CH2:9][C:10](=[O:11])[OH:29]

Participants

15

Reactant 14

HCID 679Dimethyl SulfoxideHCID 923Sodium ion2×HCID 962WaterHCID 1003DihydrogenphosphateHCID 1049PyridineHCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 6386tert-ButanolHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 105532-Methyl-2-buteneHCID 24682Sulfur trioxideHCID 197148ChloriteHCID 23074318HCID 23074318, compound

Product 1

HCID 23074471HCID 23074471, compound

Sources & evidence

ORD record
ord-37842831be1a43f0a5230b6a48d8c4d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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