Acetic Acid → HCID 86607168, compound

HRID 148867Notes

Reaction equation

HRID 148867 reaction equation
[C:29]([BH3-:30])#[N:31].[CH2:23]=[O:24].[CH3:25][C:26](=[O:27])[OH:28].[CH3:33][OH:34].[Cl:1][c:2]1[c:3]([NH:16][C:17]([C:18]([F:19])([F:20])[F:21])=[O:22])[cH:4][cH:5][c:6]([NH:8][CH2:9][c:10]2[s:11][c:12]([Cl:15])[cH:13][cH:14]2)[cH:7]1.[Na+:32].[OH2:35]>>[Cl:1][c:2]1[c:3]([NH:16][C:17]([C:18]([F:19])([F:20])[F:21])=[O:22])[cH:4][cH:5][c:6]([N:8]([CH2:9][c:10]2[s:11][c:12]([Cl:15])[cH:13][cH:14]2)[CH3:25])[cH:7]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 712FormaldehydeHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 498716Cyano-borohydrideHCID 86607167HCID 86607167, compound

Product 1

HCID 86607168HCID 86607168, compound

Sources & evidence

ORD record
ord-48fed8f4900b4a2c95afe3b27c0ffa43
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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