Acetic Acid → HCID 23015824, compound

HRID 165711Notes

Reaction equation

HRID 165711 reaction equation
[BH4-:31].[CH3:18][c:19]1[cH:20][c:21]([NH2:22])[cH:23][c:24]([CH3:26])[cH:25]1.[CH3:1][C:2]1=[C:3]([c:10]2[c:11]([CH:12]=[O:13])[cH:14][cH:15][cH:16][cH:17]2)[CH:4]([CH3:9])[C:5]([CH3:8])=[C:6]1[CH3:7].[CH3:27][C:28](=[O:29])[OH:30].[CH3:33][CH2:34][OH:35].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Na+:32].[OH2:43]>>[CH3:1][C:2]1=[C:3]([c:10]2[c:11]([CH2:12][NH:22][c:21]3[cH:20][c:19]([CH3:18])[cH:25][c:24]([CH3:26])[cH:23]3)[cH:14][cH:15][cH:16][cH:17]2)[CH:4]([CH3:9])[C:5]([CH3:8])=[C:6]1[CH3:7]

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 79493,5-DimethylanilineHCID 28123BorohydrideHCID 23016034HCID 23016034, compound

Product 1

HCID 23015824HCID 23015824, compound

Sources & evidence

ORD record
ord-cd8bad2f8ad1494ba30db417b5b3e6e3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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