Acetic Acid → HCID 66876498, compound

HRID 169351Notes

Reaction equation

HRID 169351 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][o:7][c:8]([NH:10][C:11](=[O:12])[NH:13][c:14]2[cH:15][c:16]([O:20][c:21]3[n:22][cH:23][n:24][c:25]4[cH:26][c:27]([O:33][CH2:34][CH:35]5[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]5)[c:28]([O:31][CH3:32])[cH:29][c:30]34)[cH:17][cH:18][cH:19]2)[cH:9]1.[C:47]([O:48][BH-:49]([O:50][C:51](=[O:52])[CH3:53])[O:54][C:55](=[O:56])[CH3:57])(=[O:58])[CH3:59].[CH2:41]=[O:42].[CH3:43][C:44](=[O:45])[OH:46].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[Na+:60].[Na+:62].[OH-:61]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][o:7][c:8]([NH:10][C:11](=[O:12])[NH:13][c:14]2[cH:15][c:16]([O:20][c:21]3[n:22][cH:23][n:24][c:25]4[cH:26][c:27]([O:33][CH2:34][CH:35]5[CH2:36][CH2:37][N:38]([CH3:43])[CH2:39][CH2:40]5)[c:28]([O:31][CH3:32])[cH:29][c:30]34)[cH:17][cH:18][cH:19]2)[cH:9]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 712FormaldehydeHCID 923Sodium ion2×HCID 961HydroxideHCID 8857Ethyl AcetateHCID 2724942TriacetoxyborohydrideHCID 66876208HCID 66876208, compound

Product 1

HCID 66876498HCID 66876498, compound

Sources & evidence

ORD record
ord-1051df24fc484c7abf4e96763f271138
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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