Acetic Acid → HCID 58056623, compound

HRID 1131184Notes

Reaction equation

HRID 1131184 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([OH:30])[C:11]2([CH2:12][CH2:13][N:14]([c:17]3[cH:18][cH:19][c:20]([O:23][C:24]([F:25])([F:26])[F:27])[cH:21][cH:22]3)[C:15]2=[O:16])[CH2:28][CH2:29]1.[CH3:31][C:32](=[O:33])[OH:34].[CH3:37][OH:38].[Na+:36].[OH-:35].[OH2:39]>>[NH:8]1[CH2:9][CH:10]([OH:30])[C:11]2([CH2:12][CH2:13][N:14]([c:17]3[cH:18][cH:19][c:20]([O:23][C:24]([F:25])([F:26])[F:27])[cH:21][cH:22]3)[C:15]2=[O:16])[CH2:28][CH2:29]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 56602659(5SR,6RS)-8-benzyl-6-hydroxy-2-(4-trifluoromethoxy-phenyl)-2,8-diaza-spiro[4.5]decan-1-one

Product 1

HCID 58056623HCID 58056623, compound

Sources & evidence

ORD record
ord-017571c1b460482f8812ace3a0f30b83
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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