Acetic Acid → HCID 58654382, compound

HRID 308163Notes

Reaction equation

HRID 308163 reaction equation
[C:27]([O:28][BH-:29]([O:30][C:31](=[O:32])[CH3:33])[O:34][C:35](=[O:36])[CH3:37])(=[O:38])[CH3:39].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH:7]([c:11]2[n:12][c:13](-[n:18]3[cH:19][n:20][cH:21][cH:22]3)[n:14][c:15]([CH3:17])[cH:16]2)[NH:8][CH2:9][CH2:10]1.[CH2:23]=[O:24].[CH3:25][OH:26].[CH3:42][C:43](=[O:44])[OH:45].[Na+:40].[OH2:41]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH:7]([c:11]2[n:12][c:13](-[n:18]3[cH:19][n:20][cH:21][cH:22]3)[n:14][c:15]([CH3:17])[cH:16]2)[N:8]([CH3:27])[CH2:9][CH2:10]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 712FormaldehydeHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 2724942TriacetoxyborohydrideHCID 58654393HCID 58654393, compound

Product 1

HCID 58654382HCID 58654382, compound

Sources & evidence

ORD record
ord-e6ab37e089ca4aef8775e082d20eaa16
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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