Acetone → HCID 54284090, compound

HRID 299912Notes

Reaction equation

HRID 299912 reaction equation
[BH4-:28].[CH3:31][OH:32].[CH3:34][C:35]([CH3:36])=[O:37].[Ca+2:3].[Cl-:1].[Cl-:2].[Cl:4][c:5]1[c:6]([C:12]([C:13](=[CH:14][C:15]2([CH3:21])[CH2:16][CH:17]=[CH:18][CH2:19][CH2:20]2)[n:22]2[cH:23][n:24][cH:25][cH:26]2)=[O:27])[cH:7][cH:8][c:9]([Cl:11])[cH:10]1.[ClH:30].[Na+:29].[OH2:33]>>[Cl:4][c:5]1[c:6]([CH:12]([C:13](=[CH:14][C:15]2([CH3:21])[CH2:16][CH:17]=[CH:18][CH2:19][CH2:20]2)[n:22]2[cH:23][n:24][cH:25][cH:26]2)[OH:27])[cH:7][cH:8][c:9]([Cl:11])[cH:10]1

Participants

10

Reactant 9

HCID 180AcetoneHCID 271Calcium CationHCID 312Chloride2×HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 28123BorohydrideHCID 53882710HCID 53882710, compound

Product 1

HCID 54284090HCID 54284090, compound

Sources & evidence

ORD record
ord-153ea03775c14a7f9900d20dc42f2db5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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