Acetic Acid → HCID 3077668, compound

HRID 142931Notes

Reaction equation

HRID 142931 reaction equation
[C:27]([BH3-:28])#[N:29].[CH3:31][C:32](=[O:33])[OH:34].[CH3:35][C:36]#[N:37].[N:1]1([CH2:7][c:8]2[cH:9][cH:10][c:11]([CH2:13][NH:14][CH2:15][CH2:16][N:17]3[C:18](=[C:22]([C:23]#[N:24])[C:25]#[N:26])[NH:19][CH2:20][CH2:21]3)[o:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Na+:30]>>[N:1]1([CH2:7][c:8]2[cH:9][cH:10][c:11]([CH2:13][N:14]([CH2:15][CH2:16][N:17]3[C:18](=[C:22]([C:23]#[N:24])[C:25]#[N:26])[NH:19][CH2:20][CH2:21]3)[CH3:27])[o:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 6342AcetonitrileHCID 131846HCID 131846, compoundHCID 498716Cyano-borohydride

Product 1

HCID 3077668HCID 3077668, compound

Sources & evidence

ORD record
ord-910792f4696a4b6da40e061071aee760
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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