Acetone → HCID 14586057, compound

HRID 105253Notes

Reaction equation

HRID 105253 reaction equation
[BH4-:1].[CH2:3]1[O:4][C:5]2([CH2:6][C:7]3=[C:20]([C:19]4=[CH:18][CH2:17][C:15]5([CH3:16])[CH:11]([CH:10]4[CH2:9][CH2:8]3)[CH2:12][CH2:13][C:14]5=[O:23])[CH2:21][CH2:22]2)[O:24][CH2:25]1.[CH3:26][C:27](=[O:28])[CH3:29].[CH3:34][OH:35].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[Cl-:31].[Na+:2].[Na+:30].[Na+:33].[OH-:32].[OH2:42]>>[CH2:3]1[O:4][C:5]2([CH2:6][C:7]3=[C:20]([C:19]4=[CH:18][CH2:17][C:15]5([CH3:16])[CH:11]([CH:10]4[CH2:9][CH2:8]3)[CH2:12][CH2:13][CH:14]5[OH:23])[CH2:21][CH2:22]2)[O:24][CH2:25]1

Participants

10

Reactant 9

HCID 180AcetoneHCID 312ChlorideHCID 887MethanolHCID 923Sodium ion3×HCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 28123BorohydrideHCID 4680818HCID 4680818, compound

Product 1

HCID 14586057HCID 14586057, compound

Sources & evidence

ORD record
ord-06118e7252d04a57bfbecb0fd17f5dc6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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