Hydrochloric Acid → HCID 54478229, compound

HRID 1557593Notes

Reaction equation

HRID 1557593 reaction equation
[C:26]([CH2:27][CH2:28][C:29](=[O:30])[O-:31])(=[O:32])[O:33][CH2:34][CH3:35].[C:37]([OH:38])([CH3:39])([CH3:40])[CH3:41].[CH3:20][C:21]([CH3:22])([O-:23])[CH3:24].[ClH:36].[F:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[c:7]2[cH:8][cH:9][c:10]([S:13](=[O:14])(=[O:15])[CH3:16])[cH:11][cH:12]2)[cH:17][cH:18][cH:19]1.[K+:25].[OH2:42]>>[F:1][c:2]1[cH:3][c:4]([C:5]([c:7]2[cH:8][cH:9][c:10]([S:13](=[O:14])(=[O:15])[CH3:16])[cH:11][cH:12]2)=[C:27]([C:26](=[O:32])[O:33][CH2:34][CH3:35])[CH2:28][C:29](=[O:30])[OH:31])[cH:17][cH:18][cH:19]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 813Potassium CationHCID 962WaterHCID 6386tert-ButanolHCID 17119674-Ethoxy-4-oxobutanoateHCID 45749132-Methylpropan-2-olateHCID 21262864HCID 21262864, compound

Product 1

HCID 54478229HCID 54478229, compound

Sources & evidence

ORD record
ord-e82c3315fb6143edbdbe8b570ab48433
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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