Acetic Acid → HCID 58993578, compound

HRID 2122539Notes

Reaction equation

HRID 2122539 reaction equation
[C:37]([BH3-:38])#[N:39].[CH3:41][C:42](=[O:43])[OH:44].[CH3:45][C:46]#[N:47].[CH:34]([CH3:35])=[O:36].[Na+:40].[c:1]1([C:7]2([CH2:13][O:14][CH2:15][c:16]3[cH:17][c:18](-[c:26]4[cH:27][cH:28][c:29]([C:32]#[N:33])[cH:30][cH:31]4)[cH:19][c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]3)[CH2:8][CH2:9][NH:10][CH2:11][CH2:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]2([CH2:13][O:14][CH2:15][c:16]3[cH:17][c:18](-[c:26]4[cH:27][cH:28][c:29]([C:32]#[N:33])[cH:30][cH:31]4)[cH:19][c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]3)[CH2:8][CH2:9][N:10]([CH2:34][CH3:35])[CH2:11][CH2:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 177AcetaldehydeHCID 923Sodium ionHCID 6342AcetonitrileHCID 498716Cyano-borohydrideHCID 24785978HCID 24785978, compound

Product 1

HCID 58993578HCID 58993578, compound

Sources & evidence

ORD record
ord-b47b6b95fc7d4c3ea558064534148640
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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