Acetic Acid → Sodium ion

HRID 2155299Notes

Reaction equation

HRID 2155299 reaction equation
[C:36]([O:37][BH-:38]([O:39][C:40](=[O:41])[CH3:42])[O:43][C:44](=[O:45])[CH3:46])(=[O:47])[CH3:48].[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:32][C:33](=[O:34])[OH:35].[Cl:16][c:17]1[cH:18][c:19]([CH3:31])[c:20](-[c:23]2[cH:24][c:25]([CH:29]=[O:30])[cH:26][cH:27][cH:28]2)[cH:21][cH:22]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][n:7]2[o:8][c:9](=[O:13])[nH:10][c:11]2=[O:12])[cH:14][cH:15]1.[Na+:49]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH2:6][n:7]2[o:8][c:9](=[O:13])[n-:10][c:11]2=[O:12])[cH:14][cH:15]1)[CH2:29][c:25]1[cH:24][c:23](-[c:20]2[c:19]([CH3:31])[cH:18][c:17]([Cl:16])[cH:22][cH:21]2)[cH:28][cH:27][cH:26]1.[Na+:49]

Participants

8

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 2724942TriacetoxyborohydrideHCID 18624553HCID 18624553, compoundHCID 86632832HCID 86632832, compound

Product 2

HCID 923Sodium ionHCID 178426093HCID 178426093, compound

Sources & evidence

ORD record
ord-aa406755d1c441eaaae0eabfcfd5933a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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