Acetic Acid → HCID 9980457, compound

HRID 2145847Notes

Reaction equation

HRID 2145847 reaction equation
[BH4-:35].[C:24](=[O:25])([OH:26])[c:27]1[cH:28][c:29]([CH:30]=[O:31])[cH:32][cH:33][cH:34]1.[CH3:37][C:38](=[O:39])[OH:40].[NH2:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][C:7](=[O:8])[c:9]2[cH:10][cH:11][c:12](-[c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[cH:13][cH:14]2)[cH:21][cH:22][cH:23]1.[Na+:36]>>[NH:1]([c:2]1[cH:3][c:4]([CH2:5][NH:6][C:7](=[O:8])[c:9]2[cH:10][cH:11][c:12](-[c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[cH:13][cH:14]2)[cH:21][cH:22][cH:23]1)[CH2:30][c:29]1[cH:28][c:27]([C:24](=[O:25])[OH:26])[cH:34][cH:33][cH:32]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 120773-CarboxybenzaldehydeHCID 28123BorohydrideHCID 68869657HCID 68869657, compound

Product 1

HCID 9980457HCID 9980457, compound

Sources & evidence

ORD record
ord-37e938b177224676a17ba087278ff21a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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