Bicarbonate Ion → 2-[4-[2-[5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]ethyl]phenoxy]ethyl methanesulfonate

HRID 666842Notes

Reaction equation

HRID 666842 reaction equation
[CH3:1][C:2]1([CH3:30])[O:3][CH2:4][c:5]2[c:6]([cH:8][cH:9][c:10]([CH:12]3[CH2:13][N:14]([CH2:18][CH2:19][c:20]4[cH:21][cH:22][c:23]([O:26][CH2:27][CH2:28][OH:29])[cH:24][cH:25]4)[C:15](=[O:17])[O:16]3)[cH:11]2)[O:7]1.[CH3:40][S:41]([Cl:42])(=[O:43])=[O:44].[CH:31]([N:32]([CH:33]([CH3:34])[CH3:35])[CH2:36][CH3:37])([CH3:38])[CH3:39].[Cl:50][CH2:51][Cl:52].[Na+:49].[O-:45][C:46]([OH:47])=[O:48]>>[CH3:1][C:2]1([CH3:30])[O:3][CH2:4][c:5]2[c:6]([cH:8][cH:9][c:10]([CH:12]3[CH2:13][N:14]([CH2:18][CH2:19][c:20]4[cH:21][cH:22][c:23]([O:26][CH2:27][CH2:28][O:29][S:41]([CH3:40])(=[O:43])=[O:44])[cH:24][cH:25]4)[C:15](=[O:17])[O:16]3)[cH:11]2)[O:7]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 31297Methanesulfonyl chlorideHCID 81531DiisopropylethylamineHCID 696844125-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-3-[2-[4-(2-hydroxyethoxy)phenyl]ethyl]-1,3-oxazolidin-2-one

Product 1

HCID 879501812-[4-[2-[5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]ethyl]phenoxy]ethyl methanesulfonate

Sources & evidence

ORD record
ord-ad081df6386b48b3a3c0db80eb5c9ab5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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