Acetic Acid → HCID 68511081, compound

HRID 126316Notes

Reaction equation

HRID 126316 reaction equation
[C:38]([OH:39])(=[O:40])[CH3:41].[C:42]([O:43][BH-:44]([O:45][C:46](=[O:47])[CH3:48])[O:49][C:50](=[O:51])[CH3:52])(=[O:53])[CH3:54].[CH3:32][N:33]([CH2:34][CH2:35][NH2:36])[CH3:37].[CH3:58][CH2:59][O:60][C:61]([CH3:62])=[O:63].[CH:1]1([c:7]2[c:8]3[cH:9][cH:10][c:11]([C:28](=[O:29])[O:30][CH3:31])[cH:12][c:13]3[n:14]3[c:21]2-[c:20]2[c:19]([cH:25][c:24]([F:26])[cH:23][cH:22]2)[O:18][CH2:17][C:16](=[O:27])[CH2:15]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Na+:55].[Na+:57].[OH-:56]>>[CH:1]1([c:7]2[c:8]3[cH:9][cH:10][c:11]([C:28](=[O:29])[O:30][CH3:31])[cH:12][c:13]3[n:14]3[c:21]2-[c:20]2[c:19]([cH:25][c:24]([F:26])[cH:23][cH:22]2)[O:18][CH2:17][CH:16]([NH:36][CH2:35][CH2:34][N:33]([CH3:32])[CH3:37])[CH2:15]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ion2×HCID 961HydroxideHCID 8857Ethyl AcetateHCID 66053N,N-DimethylethylenediamineHCID 2724942TriacetoxyborohydrideHCID 68505502HCID 68505502, compound

Product 1

HCID 68511081HCID 68511081, compound

Sources & evidence

ORD record
ord-b897743697b74c6fbf552eea0bce6e73
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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