Acetate → HCID 14534473, compound

HRID 97093Notes

Reaction equation

HRID 97093 reaction equation
[Br-:36].[C:1]([CH2:2][C:3](=[O:4])[CH3:5])([O:6][CH3:7])=[O:8].[CH3:13][C:14](=[O:15])[O-:16].[CH3:37][CH2:38][CH2:39][CH2:40][N+:41]([CH2:42][CH2:43][CH2:44][CH3:45])([CH2:46][CH2:47][CH2:48][CH3:49])[CH2:50][CH2:51][CH2:52][CH3:53].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[ClH:11].[F:17][C:18]([CH:19]([F:20])[F:21])([O:22][c:23]1[cH:24][cH:25][c:26]([S:29][CH2:30][CH2:31][CH:32]=[O:33])[cH:27][cH:28]1)[F:34].[Na+:10].[Na+:12].[OH-:9].[OH2:35]>>[CH2:2]([C:3](=[O:4])[CH3:5])[CH:32]([CH2:31][CH2:30][S:29][c:26]1[cH:25][cH:24][c:23]([O:22][C:18]([F:17])([CH:19]([F:20])[F:21])[F:34])[cH:28][cH:27]1)[OH:33]

Participants

11

Reactant 10

HCID 175AcetateHCID 259Bromide ionHCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 7757Methyl acetoacetateHCID 16028TetrabutylammoniumHCID 14347986HCID 14347986, compound

Product 1

HCID 14534473HCID 14534473, compound

Sources & evidence

ORD record
ord-bf8c9b06860142e088576490a3081eac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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