Acetic Acid → HCID 13488996, compound

HRID 698842Notes

Reaction equation

HRID 698842 reaction equation
[BH4-:26].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][N:9]1[C:10](=[O:25])[CH:11]([NH:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH:12]1[C:13](=[O:14])[O:15][CH3:16].[CH3:28][C:29](=[O:30])[OH:31].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[Cl-:33].[Na+:27].[Na+:32].[O:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1.[OH2:39]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][N:9]1[C:10](=[O:25])[CH:11]([NH:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH:12]1[CH2:13][OH:14]

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 312ChlorideHCID 923Sodium ion2×HCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28123BorohydrideHCID 14988526HCID 14988526, compound

Product 1

HCID 13488996HCID 13488996, compound

Sources & evidence

ORD record
ord-280e73b676534bae96d9796c16114f69
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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