Acetate → HCID 178496841, compound

HRID 2322590Notes

Reaction equation

HRID 2322590 reaction equation
[C:29]([BH3-:30])#[N:31].[C:33](=[O:34])([OH:35])[O-:36].[CH3:15][C:16](=[O:17])[O-:18].[CH3:38][OH:39].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[ClH:1].[F:19][c:20]1[cH:21][c:22]([CH:23]=[O:24])[cH:25][cH:26][c:27]1[F:28].[NH2:2][CH:3]1[CH:4]([C:10](=[O:11])[O:12][CH3:13])[CH:5]2[CH2:6][CH2:7][CH:8]1[CH2:9]2.[Na+:14].[Na+:32].[Na+:37]>>[NH:2]([CH:3]1[CH:4]([C:10](=[O:11])[O:12][CH3:13])[CH:5]2[CH2:6][CH2:7][CH:8]1[CH2:9]2)[CH2:23][c:22]1[cH:21][c:20]([F:19])[c:27]([F:28])[cH:26][cH:25]1

Participants

10

Reactant 9

HCID 175AcetateHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion3×HCID 8857Ethyl AcetateHCID 498716Cyano-borohydrideHCID 5880883,4-DifluorobenzaldehydeHCID 54594078HCID 54594078, compound

Product 1

HCID 178496841HCID 178496841, compound

Sources & evidence

ORD record
ord-574129f72fd04988be9c88b807015738
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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