Acetic Acid → HCID 178499503, compound

HRID 176036Notes

Reaction equation

HRID 176036 reaction equation
[C:43]([BH3-:44])#[N:45].[CH2:51]=[O:52].[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][c:7]2[c:8]3[c:9]([n:10][cH:11][n:12]2)[n:13]([CH:16]2[O:17][CH:18]([CH2:26][NH:27][CH:28]4[CH2:29][CH:30]([CH2:32][C:33](=[O:34])[O:35][CH3:36])[CH2:31]4)[CH:19]4[CH:20]2[O:21][C:22]([CH3:24])([CH3:25])[O:23]4)[cH:14][cH:15]3)[cH:37][cH:38][c:39]([O:41][CH3:42])[cH:40]1.[CH3:47][C:48](=[O:49])[OH:50].[CH3:53][OH:54].[Na+:46]>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][c:7]2[c:8]3[c:9]([n:10][cH:11][n:12]2)[n:13]([CH:16]2[O:17][CH:18]([CH2:26][N:27]([CH:28]4[CH2:29][CH:30]([CH2:32][C:33](=[O:34])[O:35][CH3:36])[CH2:31]4)[CH3:43])[CH:19]4[CH:20]2[O:21][C:22]([CH3:24])([CH3:25])[O:23]4)[cH:14][cH:15]3)[cH:37][cH:38][c:39]([O:41][CH3:42])[cH:40]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 712FormaldehydeHCID 887MethanolHCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 178499501HCID 178499501, compound

Product 1

HCID 178499503HCID 178499503, compound

Sources & evidence

ORD record
ord-a8c7fee55da24e538942b28942e63192
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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