Acetic Acid → HCID 23291924, compound

HRID 284051Notes

Reaction equation

HRID 284051 reaction equation
[C:34]([BH3-:35])#[N:36].[CH3:40][C:41](=[O:42])[OH:43].[CH3:44][C:45]#[N:46].[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][C:7]([CH3:26])([CH3:27])[c:8]2[cH:9][c:10]([NH:14][c:15]3[cH:16][cH:17][c:18]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[cH:24][cH:25]3)[cH:11][cH:12][c:13]21.[CH:28]([CH2:29][CH:30]([CH3:31])[CH3:32])=[O:33].[Na+:37].[Na+:39].[OH-:38]>>[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][C:7]([CH3:26])([CH3:27])[c:8]2[cH:9][c:10]([N:14]([c:15]3[cH:16][cH:17][c:18]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[cH:24][cH:25]3)[CH2:28][CH2:29][CH:30]([CH3:31])[CH3:32])[cH:11][cH:12][c:13]21

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ion2×HCID 961HydroxideHCID 6342AcetonitrileHCID 115523-MethylbutanalHCID 498716Cyano-borohydrideHCID 23291922HCID 23291922, compound

Product 1

HCID 23291924HCID 23291924, compound

Sources & evidence

ORD record
ord-d7190311502041e8ac2c323f0144ad07
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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