Acetic Acid → HCID 23156817, compound

HRID 1125779Notes

Reaction equation

HRID 1125779 reaction equation
[C:34](=[O:35])([OH:36])[O-:37].[C:5]([BH3-:6])#[N:7].[CH3:1][C:2](=[O:3])[OH:4].[CH3:39][OH:40].[CH3:9][N:10]([NH:11][c:12]1[cH:13][cH:14][c:15]2[cH:16][c:17](-[c:23]3[c:24]([C:29]([F:30])([F:31])[F:32])[cH:25][cH:26][cH:27][cH:28]3)[nH:18][c:19](=[O:22])[c:20]2[cH:21]1)[CH3:33].[Na+:38].[Na+:8]>>[CH3:1][N:11]([N:10]([CH3:9])[CH3:33])[c:12]1[cH:13][cH:14][c:15]2[cH:16][c:17](-[c:23]3[c:24]([C:29]([F:30])([F:31])[F:32])[cH:25][cH:26][cH:27][cH:28]3)[nH:18][c:19](=[O:22])[c:20]2[cH:21]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 498716Cyano-borohydrideHCID 23156736HCID 23156736, compound

Product 1

HCID 23156817HCID 23156817, compound

Sources & evidence

ORD record
ord-fdf627b89b694bf0be004978730981bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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