Acetic Acid → HCID 18770396, compound

HRID 1144969Notes

Reaction equation

HRID 1144969 reaction equation
[C:3]([BH3-:4])#[N:5].[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12](=[O:13])[N:14]1[CH2:15][CH2:16][CH:17]([CH2:20][NH:21][CH2:22][CH:23]2[CH2:24][CH2:25][N:26]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:27][CH2:28]2)[CH2:18][CH2:19]1.[CH2:1]=[O:2].[CH3:38][C:39]#[N:40].[CH3:41][C:42](=[O:43])[OH:44].[Na+:37].[Na+:6].[OH-:36]>>[CH3:3][N:21]([CH2:20][CH:17]1[CH2:16][CH2:15][N:14]([C:12]([O:11][C:7]([CH3:8])([CH3:9])[CH3:10])=[O:13])[CH2:19][CH2:18]1)[CH2:22][CH:23]1[CH2:24][CH2:25][N:26]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:27][CH2:28]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 712FormaldehydeHCID 923Sodium ion2×HCID 961HydroxideHCID 6342AcetonitrileHCID 498716Cyano-borohydrideHCID 18770462HCID 18770462, compound

Product 1

HCID 18770396HCID 18770396, compound

Sources & evidence

ORD record
ord-f492b3c205324131985d1c2d0757bc1c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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