Acetic Acid → HCID 86647607, compound

HRID 196760Notes

Reaction equation

HRID 196760 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([O:7][CH:8]2[CH2:9][N:10]([C:12](=[O:13])[c:14]3[cH:15][cH:16][c:17]([CH:18]=[O:19])[cH:20][cH:21]3)[CH2:11]2)[cH:22][cH:23][cH:24][cH:25]1.[CH2:26]1[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]1.[CH3:39][C:40](=[O:41])[OH:42].[CH3:43][CH2:44][OH:45].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[O:32]=[C:33]1[CH2:34][S:35][C:36](=[O:37])[NH:38]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([O:7][CH:8]2[CH2:9][N:10]([C:12](=[O:13])[c:14]3[cH:15][cH:16][c:17]([CH:18]=[C:34]4[C:33](=[O:32])[NH:38][C:36](=[O:37])[S:35]4)[cH:20][cH:21]3)[CH2:11]2)[cH:22][cH:23][cH:24][cH:25]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 702EthanolHCID 5437ThiazolidinedioneHCID 8082PiperidineHCID 8857Ethyl AcetateHCID 59577216HCID 59577216, compound

Product 1

HCID 86647607HCID 86647607, compound

Sources & evidence

ORD record
ord-ed61d308b71242e9ab747ad70c69110b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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