Acetate → HCID 14883916, compound

HRID 1134241Notes

Reaction equation

HRID 1134241 reaction equation
[Br-:30].[C:1]([CH2:2][C:3](=[O:4])[CH3:5])([O:6][CH3:7])=[O:8].[CH3:13][C:14](=[O:15])[O-:16].[CH3:31][CH2:32][CH2:33][CH2:34][N+:35]([CH2:36][CH2:37][CH2:38][CH3:39])([CH2:40][CH2:41][CH2:42][CH3:43])[CH2:44][CH2:45][CH2:46][CH3:47].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[Cl:17][c:18]1[cH:19][cH:20][c:21]([S:24][CH2:25][CH2:26][CH:27]=[O:28])[cH:22][cH:23]1.[ClH:11].[Na+:10].[Na+:12].[OH-:9].[OH2:29]>>[CH2:2]([C:3](=[O:4])[CH3:5])[CH:27]([CH2:26][CH2:25][S:24][c:21]1[cH:20][cH:19][c:18]([Cl:17])[cH:23][cH:22]1)[OH:28]

Participants

11

Reactant 10

HCID 175AcetateHCID 259Bromide ionHCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 7757Methyl acetoacetateHCID 16028TetrabutylammoniumHCID 14503453HCID 14503453, compound

Product 1

HCID 14883916HCID 14883916, compound

Sources & evidence

ORD record
ord-32aa7be18be54cf5b9ec37657989d11d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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