Acetic Acid → HCID 58857938, compound

HRID 692623Notes

Reaction equation

HRID 692623 reaction equation
[C:39]([O:40][BH-:41]([O:42][C:43](=[O:44])[CH3:45])[O:46][C:47](=[O:48])[CH3:49])(=[O:50])[CH3:51].[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:1][O:2][C:3]([CH2:4][NH2:5])=[O:6].[CH3:53][C:54](=[O:55])[OH:56].[CH3:7][CH2:8][N:9]([CH2:10][CH3:11])[CH2:12][CH3:13].[F:14][c:15]1[cH:16][cH:17][c:18]([CH2:19][N:20]([C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH2:28][C:29]([CH2:30][CH2:31][N:32]([CH3:33])[O:34][CH3:35])=[O:36])[cH:37][cH:38]1.[Na+:52].[Na+:61].[O-:57][C:58]([OH:59])=[O:60]>>[CH3:1][O:2][C:3]([CH2:4][NH:5][CH:29]([CH2:28][N:20]([CH2:19][c:18]1[cH:17][cH:16][c:15]([F:14])[cH:38][cH:37]1)[C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH2:30][CH2:31][N:32]([CH3:33])[O:34][CH3:35])=[O:6]

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 69221Glycine methyl esterHCID 2724942TriacetoxyborohydrideHCID 58857940HCID 58857940, compound

Product 1

HCID 58857938HCID 58857938, compound

Sources & evidence

ORD record
ord-bb0a43dc554c4592b639d572816e0e10
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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