Bicarbonate Ion → 2-Methyl-4-((4-methylpiperazin-1-yl)methyl)phenol

HRID 189482Notes

Reaction equation

HRID 189482 reaction equation
[C:18]([O:19][BH-:20]([O:21][C:22](=[O:23])[CH3:24])[O:25][C:26](=[O:27])[CH3:28])(=[O:29])[CH3:30].[CH3:11][N:12]1[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]1.[Cl:37][CH:38]([Cl:39])[CH3:40].[Na+:31].[Na+:36].[O-:32][C:33]([OH:34])=[O:35].[OH:1][c:2]1[c:3]([CH3:10])[cH:4][c:5]([CH:6]=[O:7])[cH:8][cH:9]1>>[OH:1][c:2]1[c:3]([CH3:10])[cH:4][c:5]([CH2:6][N:15]2[CH2:14][CH2:13][N:12]([CH3:11])[CH2:17][CH2:16]2)[cH:8][cH:9]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 63651,1-DichloroethaneHCID 531671-MethylpiperazineHCID 1399014-Hydroxy-3-methylbenzaldehydeHCID 2724942Triacetoxyborohydride

Product 1

HCID 580431092-Methyl-4-((4-methylpiperazin-1-yl)methyl)phenol

Sources & evidence

ORD record
ord-e1352c8aa7dc4ce6b48c27c9535435ff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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