Acetic Acid → HCID 45109842, compound

HRID 99695Notes

Reaction equation

HRID 99695 reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]2[c:12]([cH:13]1)[NH:11][C:10](=[O:14])[CH2:9][CH2:8]2.[C:32]([BH3-:33])#[N:34].[C:41]([OH:42])(=[O:43])[CH3:44].[CH3:45][OH:46].[Cl:15][c:16]1[cH:17][c:18]([C:19](=[O:20])[NH:21][CH:22]2[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]2)[cH:28][cH:29][c:30]1[F:31].[Na+:35].[Na+:40].[O-:36][C:37]([OH:38])=[O:39]>>[CH:1]([CH3:2])([c:4]1[cH:5][cH:6][c:7]2[c:12]([cH:13]1)[NH:11][C:10](=[O:14])[CH2:9][CH2:8]2)[N:25]1[CH2:24][CH2:23][CH:22]([NH:21][C:19]([c:18]2[cH:17][c:16]([Cl:15])[c:30]([F:31])[cH:29][cH:28]2)=[O:20])[CH2:27][CH2:26]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 498716Cyano-borohydrideHCID 13120789HCID 13120789, compoundHCID 67130841HCID 67130841, compound

Product 1

HCID 45109842HCID 45109842, compound

Sources & evidence

ORD record
ord-563d0b0d85814229b9ba09b75178ff06
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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