Acetic Acid → HCID 178498795, compound

HRID 1131278Notes

Reaction equation

HRID 1131278 reaction equation
[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[C:40](=[O:41])([O-:42])[OH:43].[CH3:15][C:16](=[O:17])[OH:18].[CH3:19][C:20]([CH3:21])=[O:22].[Cl:45][CH2:46][Cl:47].[F:23][c:24]1[c:25]([CH:31]2[CH:32]([C:36](=[O:37])[O:38][CH3:39])[CH2:33][NH:34][CH2:35]2)[cH:26][cH:27][c:28]([F:30])[cH:29]1.[Na+:14].[Na+:44]>>[CH3:19][CH:20]([CH3:21])[N:34]1[CH2:33][CH:32]([C:36](=[O:37])[O:38][CH3:39])[CH:31]([c:25]2[c:24]([F:23])[cH:29][c:28]([F:30])[cH:27][cH:26]2)[CH2:35]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 180AcetoneHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 67211849Methyl 4-(2,4-difluorophenyl)pyrrolidine-3-carboxylate

Product 1

HCID 178498795HCID 178498795, compound

Sources & evidence

ORD record
ord-4c437c6f5960498eac2ab3567b6c3830
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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