Acetic Acid → HCID 69032049, compound

HRID 1135470Notes

Reaction equation

HRID 1135470 reaction equation
[BH4-:6].[CH3:1][CH2:2][OH:3].[CH3:41][C:42](=[O:43])[OH:44].[CH3:4][OH:5].[CH3:8][O:9][C:10](=[O:11])[c:12]1[c:13]2[c:14]([CH:35]=[CH:36][N+:37](=[O:38])[O-:39])[c:15](-[c:22]3[cH:23][cH:24][c:25]([CH2:28][N:29]([CH3:30])[C:31](=[O:32])[O:33][CH3:34])[cH:26][cH:27]3)[nH:16][c:17]2[cH:18][c:19]([F:21])[cH:20]1.[Na+:7].[OH2:40]>>[CH3:8][O:9][C:10](=[O:11])[c:12]1[c:13]2[c:14]([CH2:35][CH2:36][N+:37](=[O:38])[O-:39])[c:15](-[c:22]3[cH:23][cH:24][c:25]([CH2:28][N:29]([CH3:30])[C:31](=[O:32])[O:33][CH3:34])[cH:26][cH:27]3)[nH:16][c:17]2[cH:18][c:19]([F:21])[cH:20]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 702EthanolHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 28123BorohydrideHCID 69030044HCID 69030044, compound

Product 1

HCID 69032049HCID 69032049, compound

Sources & evidence

ORD record
ord-a2d9d2815f07481490495342dae43605
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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