Acetic Acid → HCID 68726875, compound

HRID 689367Notes

Reaction equation

HRID 689367 reaction equation
[C:11]([CH3:12])([CH3:13])([CH3:14])[O:15][C:16](=[O:17])[N:18]1[CH:19]([CH:20]=[O:21])[CH2:22][CH2:23][CH2:24]1.[C:25]([BH3-:26])#[N:27].[C:29](=[O:30])([OH:31])[O-:32].[CH3:34][OH:35].[CH3:36][C:37](=[O:38])[OH:39].[Cl:1][c:2]1[c:3]([O:9][CH3:10])[cH:4][c:5]([NH2:6])[cH:7][cH:8]1.[Na+:28].[Na+:33]>>[Cl:1][c:2]1[c:3]([O:9][CH3:10])[cH:4][c:5]([NH:6][CH2:20][CH:19]2[N:18]([C:16]([O:15][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:17])[CH2:24][CH2:23][CH2:22]2)[cH:7][cH:8]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 498716Cyano-borohydrideHCID 42278151-Boc-2-FormylpyrrolidineHCID 131036924-Chloro-3-methoxyaniline

Product 1

HCID 68726875HCID 68726875, compound

Sources & evidence

ORD record
ord-c051bd7b7cc44e41a344a5f629288933
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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