Acetate → HCID 66981800, compound

HRID 173197Notes

Reaction equation

HRID 173197 reaction equation
[CH2:1]([CH3:2])[c:3]1[c:4](-[c:11]2[cH:12][n:13][c:14](-[c:16]3[cH:17][cH:18][c:19]([O:24][CH:25]([CH3:26])[CH3:27])[c:20]([C:21]#[N:22])[cH:23]3)[s:15]2)[cH:5][cH:6][cH:7][c:8]1[CH:9]=[O:10].[CH3:28][C:29](=[O:30])[OH:31].[CH3:33][C:34](=[O:35])[O-:36].[CH3:48][CH2:49][OH:50].[NH:37]1[CH2:38][CH2:39][CH:40]([C:43](=[O:44])[O:45][CH2:46][CH3:47])[CH2:41][CH2:42]1.[Na+:32]>>[CH2:1]([CH3:2])[c:3]1[c:4](-[c:11]2[cH:12][n:13][c:14](-[c:16]3[cH:17][cH:18][c:19]([O:24][CH:25]([CH3:26])[CH3:27])[c:20]([C:21]#[N:22])[cH:23]3)[s:15]2)[cH:5][cH:6][cH:7][c:8]1[CH2:9][N:37]1[CH2:38][CH2:39][CH:40]([C:43](=[O:44])[O:45][CH2:46][CH3:47])[CH2:41][CH2:42]1

Participants

7

Reactant 6

HCID 175AcetateHCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ionHCID 70770Ethyl 4-piperidinecarboxylateHCID 866590075-[5-(2-Ethyl-3-formylphenyl)-1,3-thiazol-2-yl]-2-[(1-methylethyl)oxy]benzonitrile

Product 1

HCID 66981800HCID 66981800, compound

Sources & evidence

ORD record
ord-60c6559c0e2e45ad85687ca169c044c3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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