Acetic Acid → Ethyl 4-(4-ethyl-1,4-diazepan-1-yl)benzoate

HRID 189766Notes

Reaction equation

HRID 189766 reaction equation
[C:26]([BH3-:27])#[N:28].[C:30]([O:31][BH-:32]([O:33][C:34](=[O:35])[CH3:36])[O:37][C:38](=[O:39])[CH3:40])(=[O:41])[CH3:42].[CH3:22][C:23](=[O:24])[OH:25].[CH3:49][OH:50].[CH:19]([CH3:20])=[O:21].[N:1]1([c:8]2[cH:9][cH:10][c:11]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[cH:17][cH:18]2)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6][CH2:7]1.[Na+:29].[Na+:43].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1>>[N:1]1([c:8]2[cH:9][cH:10][c:11]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[cH:17][cH:18]2)[CH2:2][CH2:3][N:4]([CH2:19][CH3:20])[CH2:5][CH2:6][CH2:7]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 177AcetaldehydeHCID 887MethanolHCID 923Sodium ion2×HCID 8028TetrahydrofuranHCID 498716Cyano-borohydrideHCID 2724942TriacetoxyborohydrideHCID 18425301Ethyl 4-(1,4-diazepan-1-yl)benzoate

Product 1

HCID 66589981Ethyl 4-(4-ethyl-1,4-diazepan-1-yl)benzoate

Sources & evidence

ORD record
ord-6e615492bd8e4af1b87160de7ae12ffc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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