Bicarbonate Ion → HCID 57554537, compound

HRID 107331Notes

Reaction equation

HRID 107331 reaction equation
[C:37]([O:38][BH-:39]([O:40][C:41](=[O:42])[CH3:43])[O:44][C:45](=[O:46])[CH3:47])(=[O:48])[CH3:49].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][NH:18][c:19]3[cH:20][cH:21][c:22]([F:29])[c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28]3)[cH:30][cH:31]2)[cH:9][cH:10]1.[CH:32]([CH:33]([CH3:34])[CH3:35])=[O:36].[Na+:54].[O-:50][C:51]([OH:52])=[O:53]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][N:18]([c:19]3[cH:20][cH:21][c:22]([F:29])[c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28]3)[CH2:32][CH:33]([CH3:34])[CH3:35])[cH:30][cH:31]2)[cH:9][cH:10]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6561IsobutyraldehydeHCID 2724942TriacetoxyborohydrideHCID 11452740Methyl 5-({4-[(4-butylphenyl)ethynyl]benzyl}amino)-2-fluorobenzoate

Product 1

HCID 57554537HCID 57554537, compound

Sources & evidence

ORD record
ord-6b3b7228dabf4b618ed77736fb8b2bb8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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