Acetic Acid → HCID 58399157, compound

HRID 1150867Notes

Reaction equation

HRID 1150867 reaction equation
[BH4-:32].[C:34]([OH:35])(=[O:36])[CH3:37].[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:38][OH:39].[F:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]([CH:12]2[CH2:13][CH2:14][c:15]3[n:16]([c:17]4[cH:18][cH:19][cH:20][cH:21][c:22]4[c:23]3[C:24]([C:25](=[O:26])[O:27][CH3:28])=[O:29])[CH2:30]2)[CH3:31])[cH:6][cH:7]1.[Na+:33]>>[F:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]([CH:12]2[CH2:13][CH2:14][c:15]3[n:16]([c:17]4[cH:18][cH:19][cH:20][cH:21][c:22]4[c:23]3[CH2:24][C:25](=[O:26])[O:27][CH3:28])[CH2:30]2)[CH3:31])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 28123BorohydrideHCID 58399162HCID 58399162, compound

Product 1

HCID 58399157HCID 58399157, compound

Sources & evidence

ORD record
ord-78f8059a5748473d87f1407cadfaa987
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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