Acetate → HCID 14678243, compound

HRID 2125110Notes

Reaction equation

HRID 2125110 reaction equation
[Br-:34].[C:1]([CH2:2][C:3](=[O:4])[CH3:5])([O:6][CH3:7])=[O:8].[CH3:13][C:14](=[O:15])[O-:16].[CH3:35][CH2:36][CH2:37][CH2:38][N+:39]([CH2:40][CH2:41][CH2:42][CH3:43])([CH2:44][CH2:45][CH2:46][CH3:47])[CH2:48][CH2:49][CH2:50][CH3:51].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[ClH:11].[F:17][C:18]([c:19]1[cH:20][cH:21][c:22]([S:25][CH:26]([CH2:27][CH:28]=[O:29])[CH3:30])[cH:23][cH:24]1)([F:31])[F:32].[Na+:10].[Na+:12].[OH-:9].[OH2:33]>>[CH2:2]([C:3](=[O:4])[CH3:5])[CH:28]([CH2:27][CH:26]([S:25][c:22]1[cH:21][cH:20][c:19]([C:18]([F:17])([F:31])[F:32])[cH:24][cH:23]1)[CH3:30])[OH:29]

Participants

11

Reactant 10

HCID 175AcetateHCID 259Bromide ionHCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 7757Methyl acetoacetateHCID 16028TetrabutylammoniumHCID 14347983HCID 14347983, compound

Product 1

HCID 14678243HCID 14678243, compound

Sources & evidence

ORD record
ord-c11fd54bc4824f3ba3dce319253bd0a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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