Acetic Acid → HCID 68510097, compound

HRID 672241Notes

Reaction equation

HRID 672241 reaction equation
[BH4-:44].[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:34][N:35]([CH2:36][CH2:37][NH2:38])[CH3:39].[CH3:40][C:41](=[O:42])[OH:43].[CH:1]1([c:7]2[c:8](-[c:26]3[c:27]([CH:32]=[O:33])[cH:28][cH:29][cH:30][cH:31]3)[n:9]([CH2:20][CH:21]([O:22][CH3:23])[O:24][CH3:25])[c:10]3[cH:11][c:12]([C:16](=[O:17])[O:18][CH3:19])[cH:13][cH:14][c:15]23)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Na+:45]>>[CH:1]1([c:7]2[c:8](-[c:26]3[c:27]([CH2:32][NH:38][CH2:37][CH2:36][N:35]([CH3:34])[CH3:39])[cH:28][cH:29][cH:30][cH:31]3)[n:9]([CH2:20][CH:21]([O:22][CH3:23])[O:24][CH3:25])[c:10]3[cH:11][c:12]([C:16](=[O:17])[O:18][CH3:19])[cH:13][cH:14][c:15]23)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 28123BorohydrideHCID 66053N,N-DimethylethylenediamineHCID 86604965HCID 86604965, compound

Product 1

HCID 68510097HCID 68510097, compound

Sources & evidence

ORD record
ord-3ab332e66a64494b99dbd78e428bac67
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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