Acetic Acid → HCID 16039596, compound

HRID 1126813Notes

Reaction equation

HRID 1126813 reaction equation
[C:32]([BH3-:33])#[N:34].[C:36](=[O:37])([OH:38])[O-:39].[CH3:41][OH:42].[CH3:43][C:44](=[O:45])[OH:46].[CH:1]1([CH2:4][N:5]2[C:6](=[O:22])[c:7]3[c:8]([CH3:21])[cH:9][c:10]([CH2:14][CH:15]4[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]4)[cH:11][c:12]3[CH2:13]2)[CH2:2][CH2:3]1.[F:23][c:24]1[cH:25][c:26]([CH:27]=[O:28])[cH:29][cH:30][cH:31]1.[Na+:35].[Na+:40]>>[CH:1]1([CH2:4][N:5]2[C:6](=[O:22])[c:7]3[c:8]([CH3:21])[cH:9][c:10]([CH2:14][CH:15]4[CH2:16][CH2:17][N:18]([CH2:27][c:26]5[cH:25][c:24]([F:23])[cH:31][cH:30][cH:29]5)[CH2:19][CH2:20]4)[cH:11][c:12]3[CH2:13]2)[CH2:2][CH2:3]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 680093-FluorobenzaldehydeHCID 498716Cyano-borohydrideHCID 57672258HCID 57672258, compound

Product 1

HCID 16039596HCID 16039596, compound

Sources & evidence

ORD record
ord-4a773695a0b5454abe1da27a0bc54bf7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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