Acetic Acid → HCID 178500198, compound

HRID 1221555Notes

Reaction equation

HRID 1221555 reaction equation
[C:34]([BH3-:35])#[N:36].[C:38](=[O:39])([OH:40])[O-:41].[CH3:43][OH:44].[CH3:45][C:46](=[O:47])[OH:48].[CH:26]([c:27]1[cH:28][n:29][cH:30][cH:31][cH:32]1)=[O:33].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][CH:12]2[CH2:13][CH:14]([CH:17]=[CH:18][CH2:19][CH2:20][CH2:21][C:22](=[O:23])[O:24][CH3:25])[NH:15][CH2:16]2)[cH:6][cH:7]1.[Na+:37].[Na+:42]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][CH:12]2[CH2:13][CH:14]([CH:17]=[CH:18][CH2:19][CH2:20][CH2:21][C:22](=[O:23])[O:24][CH3:25])[N:15]([CH2:26][c:27]3[cH:28][n:29][cH:30][cH:31][cH:32]3)[CH2:16]2)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 103713-PyridinecarboxaldehydeHCID 498716Cyano-borohydrideHCID 178500196HCID 178500196, compound

Product 1

HCID 178500198HCID 178500198, compound

Sources & evidence

ORD record
ord-39151424903145ca82f015a6ab36fc3b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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