Acetic Acid → HCID 68527207, compound

HRID 1122872Notes

Reaction equation

HRID 1122872 reaction equation
[C:41]([BH3-:42])#[N:43].[CH2:35]=[O:36].[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:28][CH2:29][C:30](=[O:31])[O:32][CH2:33][CH3:34])[cH:6][cH:7][c:8]1[O:9][c:10]1[n:11][cH:12][c:13]([NH:16][CH2:17][c:18]2[cH:19][cH:20][c:21]([C:24]([F:25])([F:26])[F:27])[cH:22][cH:23]2)[cH:14][cH:15]1.[CH3:37][C:38](=[O:39])[OH:40].[CH3:45][OH:46].[Na+:44].[OH2:47]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:28][CH2:29][C:30](=[O:31])[O:32][CH2:33][CH3:34])[cH:6][cH:7][c:8]1[O:9][c:10]1[n:11][cH:12][c:13]([N:16]([CH2:17][c:18]2[cH:19][cH:20][c:21]([C:24]([F:25])([F:26])[F:27])[cH:22][cH:23]2)[CH3:37])[cH:14][cH:15]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 712FormaldehydeHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 498716Cyano-borohydrideHCID 68524338HCID 68524338, compound

Product 1

HCID 68527207HCID 68527207, compound

Sources & evidence

ORD record
ord-a459b442869d4e3ba6722db083f578b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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