Acetic Acid → Ethyl 4-(3,4,5-trimethylpiperazin-1-yl)benzoate

HRID 86337

Reaction equation

HRID 86337 reaction equation
[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[CH3:15][CH:16]1[CH2:17][N:18]([c:23]2[cH:24][cH:25][c:26]([C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:32][cH:33]2)[CH2:19][CH:20]([CH3:22])[NH:21]1.[CH3:34][C:35](=[O:36])[OH:37].[CH3:38][OH:39].[Na+:14]>>[CH3:1][N:21]1[CH:16]([CH3:15])[CH2:17][N:18]([c:23]2[cH:24][cH:25][c:26]([C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:32][cH:33]2)[CH2:19][CH:20]1[CH3:22]

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 2724942TriacetoxyborohydrideHCID 18425275Ethyl 4-(3,5-dimethylpiperazin-1-yl)benzoate

Product 1

HCID 57440411Ethyl 4-(3,4,5-trimethylpiperazin-1-yl)benzoate

Sources & evidence

ORD record
ord-d1f8f1c1689e4a3f8474eb6d211b356a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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