Acetate → HCID 59255440, compound

HRID 201314Notes

Reaction equation

HRID 201314 reaction equation
[BH4-:27].[CH3:23][C:24](=[O:25])[O-:26].[CH3:34][S:35](=[O:36])[CH3:37].[CH3:39][C:40](=[O:41])[OH:42].[F:1][c:2]1[c:3]([O:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([CH:14]=[O:15])[cH:16][cH:17]2)[n:4][cH:5][cH:6][cH:7]1.[N+:18](=[O:19])([O-:20])[CH3:21].[NH4+:22].[Na+:28].[Na+:29].[OH2:38].[OH:30][C:31](=[O:32])[O-:33]>>[F:1][c:2]1[c:3]([O:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([CH2:14][CH2:21][N+:18](=[O:19])[O-:20])[cH:16][cH:17]2)[n:4][cH:5][cH:6][cH:7]1

Participants

11

Reactant 10

HCID 175AcetateHCID 176Acetic AcidHCID 223AmmoniumHCID 679Dimethyl SulfoxideHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 962WaterHCID 6375NitromethaneHCID 28123BorohydrideHCID 592552614-(3-Fluoro-pyridin-2-yloxymethyl)-benzaldehyde

Product 1

HCID 59255440HCID 59255440, compound

Sources & evidence

ORD record
ord-c786fd60664f4b7a8b1f59e6cc1ed016
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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