Acetate → HCID 178475230, compound

HRID 176183Notes

Reaction equation

HRID 176183 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][CH:7]([O:32][C:33]([CH3:34])=[O:35])[CH2:8][CH:9]2[CH:10]=[CH:11][CH:12]3[CH:13]4[CH2:14][CH2:15][CH:16]([CH:17]([CH2:18][CH2:19][CH2:20][CH:21]([CH3:22])[CH3:23])[CH3:24])[C:25]4([CH3:31])[CH2:26][CH2:27][CH:28]3[C:29]12[CH3:30].[CH3:37][C:38]([O-:39])=[O:40].[CH3:41][C:42]([OH:43])([CH3:44])[CH3:45].[Na+:36]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][CH:7]([O:32][C:33]([CH3:34])=[O:35])[CH2:8][C:9]2=[CH:10][C:11](=[O:39])[CH:12]3[CH:13]4[CH2:14][CH2:15][CH:16]([CH:17]([CH2:18][CH2:19][CH2:20][CH:21]([CH3:22])[CH3:23])[CH3:24])[C:25]4([CH3:31])[CH2:26][CH2:27][CH:28]3[C:29]12[CH3:30]

Participants

5

Reactant 4

HCID 175AcetateHCID 923Sodium ionHCID 6386tert-ButanolHCID 178475170HCID 178475170, compound

Product 1

HCID 178475230HCID 178475230, compound

Sources & evidence

ORD record
ord-5532ce7ec2f34cb7985fc513dace79ec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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