Acetic Acid → HCID 22406745, compound

HRID 1135469Notes

Reaction equation

HRID 1135469 reaction equation
[C:25]([BH3-:26])#[N:27].[CH2:23]=[O:24].[CH3:31][C:32](=[O:33])[OH:34].[CH3:35][C:36]#[N:37].[Cl:1][c:2]1[c:3]([C:8]2([CH:11]3[NH:12][CH2:13][CH2:14][c:15]4[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][c:20]43)[CH2:9][CH2:10]2)[cH:4][cH:5][cH:6][cH:7]1.[Na+:28].[Na+:30].[OH-:29]>>[Cl:1][c:2]1[c:3]([C:8]2([CH:11]3[N:12]([CH3:25])[CH2:13][CH2:14][c:15]4[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][c:20]43)[CH2:9][CH2:10]2)[cH:4][cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 712FormaldehydeHCID 923Sodium ion2×HCID 961HydroxideHCID 6342AcetonitrileHCID 498716Cyano-borohydrideHCID 22406797HCID 22406797, compound

Product 1

HCID 22406745HCID 22406745, compound

Sources & evidence

ORD record
ord-67b98024f29942b38dd7bb633d308716
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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