Acetic Acid → HCID 59651871, compound

HRID 166220Notes

Reaction equation

HRID 166220 reaction equation
[C:34]1(=[O:38])[CH2:35][CH2:36][CH2:37]1.[C:39]([BH3-:40])#[N:41].[CH2:45]([Cl:46])[Cl:47].[CH3:29][N:30]([CH3:31])[CH:32]=[O:33].[CH3:43][OH:44].[CH3:53][C:54](=[O:55])[OH:56].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[F:8][c:9]1[c:10]([C:22]2=[N:27][NH:26][C:25](=[O:28])[CH2:24][CH2:23]2)[cH:11][cH:12][c:13]([O:15][CH:16]2[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]2)[cH:14]1.[Na+:42].[Na+:52].[O-:48][C:49]([OH:50])=[O:51]>>[F:8][c:9]1[c:10]([C:22]2=[N:27][NH:26][C:25](=[O:28])[CH2:24][CH2:23]2)[cH:11][cH:12][c:13]([O:15][CH:16]2[CH2:17][CH2:18][N:19]([CH:34]3[CH2:35][CH2:36][CH2:37]3)[CH2:20][CH2:21]2)[cH:14]1

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 14496CyclobutanoneHCID 498716Cyano-borohydrideHCID 59652065HCID 59652065, compound

Product 1

HCID 59651871HCID 59651871, compound

Sources & evidence

ORD record
ord-4c2381f8a9dc4b54a67c8c7c130528c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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