Acetic Acid → HCID 178426468, compound

HRID 1209886Notes

Reaction equation

HRID 1209886 reaction equation
[BH4-:39].[C:35]([OH:36])(=[O:37])[CH3:38].[CH3:1][C:2]1([CH3:12])[CH2:3][C:4](=[O:11])[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21.[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[Na+:40].[OH2:23].[c:13]1([CH:19]([NH2:20])[CH2:21][OH:22])[cH:14][cH:15][cH:16][cH:17][cH:18]1.[c:24]1([CH3:25])[cH:26][cH:27][c:28]([S:29]([OH:30])(=[O:31])=[O:32])[cH:33][cH:34]1>>[CH3:1][C:2]1([CH3:12])[CH2:3][CH:4]([NH:20][CH:19]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[CH2:21][OH:22])[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 28123BorohydrideHCID 924662-Amino-2-phenylethanolHCID 3046283,3-Dimethyl-1-indanone

Product 1

HCID 178426468HCID 178426468, compound

Sources & evidence

ORD record
ord-ae7b1bd899aa48c9ab4e5a9c142c2a28
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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