Acetic Acid → HCID 68950152, compound

HRID 1116906Notes

Reaction equation

HRID 1116906 reaction equation
[Br:1][c:2]1[cH:3][c:4]([O:15][CH3:16])[c:5]([O:6][CH:7]2[CH:8]([OH:12])[CH2:9][NH:10][CH2:11]2)[cH:13][cH:14]1.[C:19]([O:20][BH-:21]([O:22][C:23](=[O:24])[CH3:25])[O:26][C:27](=[O:28])[CH3:29])(=[O:30])[CH3:31].[C:41](=[O:42])([OH:43])[O-:44].[CH2:17]=[O:18].[CH3:33][C:34](=[O:35])[OH:36].[Cl:37][CH:38]([Cl:39])[CH3:40].[Na+:32].[Na+:45]>>[Br:1][c:2]1[cH:3][c:4]([O:15][CH3:16])[c:5]([O:6][CH:7]2[CH:8]([OH:12])[CH2:9][N:10]([CH3:19])[CH2:11]2)[cH:13][cH:14]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 712FormaldehydeHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 63651,1-DichloroethaneHCID 2724942TriacetoxyborohydrideHCID 68950223HCID 68950223, compound

Product 1

HCID 68950152HCID 68950152, compound

Sources & evidence

ORD record
ord-2a39950ce8ce4908a27d8def5742dafa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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