Acetic Acid → HCID 178432898, compound

HRID 1568981Notes

Reaction equation

HRID 1568981 reaction equation
[C:31]([BH3-:32])#[N:33].[CH2:25]=[O:26].[CH3:1][c:2]1[n:3](-[c:7]2[cH:8][cH:9][c:10]([NH:13][c:14]3[n:15][c:16]([OH:24])[c:17]4[c:18]([n:19]3)[CH2:20][CH2:21][NH:22][CH2:23]4)[cH:11][cH:12]2)[cH:4][cH:5][n:6]1.[CH3:27][C:28](=[O:29])[OH:30].[CH3:35][OH:36].[Na+:34].[OH2:37]>>[CH3:1][c:2]1[n:3](-[c:7]2[cH:8][cH:9][c:10]([NH:13][c:14]3[n:15][c:16]([OH:24])[c:17]4[c:18]([n:19]3)[CH2:20][CH2:21][N:22]([CH3:27])[CH2:23]4)[cH:11][cH:12]2)[cH:4][cH:5][n:6]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 712FormaldehydeHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 498716Cyano-borohydrideHCID 178432897HCID 178432897, compound

Product 1

HCID 178432898HCID 178432898, compound

Sources & evidence

ORD record
ord-e9b5019ca5014f19a5fc19c3bb685ba7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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