Acetic Acid → HCID 86590247, compound

HRID 105358Notes

Reaction equation

HRID 105358 reaction equation
[CH2:8]1[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]1.[CH3:14][N:15]1[C:16](=[O:41])[CH2:17][C:18]([CH3:39])([CH3:40])[c:19]2[cH:20][c:21]([CH3:38])[c:22](-[c:25]3[cH:26][c:27]([CH:28]=[O:29])[cH:30][cH:31][c:32]3[O:33][C:34]([F:35])([F:36])[F:37])[cH:23][c:24]21.[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH3:55][C:56](=[O:57])[OH:58].[S:42]1[C:43](=[O:48])[NH:44][C:45](=[O:47])[CH2:46]1>>[CH3:14][N:15]1[C:16](=[O:41])[CH2:17][C:18]([CH3:39])([CH3:40])[c:19]2[cH:20][c:21]([CH3:38])[c:22](-[c:25]3[cH:26][c:27]([CH:28]=[C:46]4[S:42][C:43](=[O:48])[NH:44][C:45]4=[O:47])[cH:30][cH:31][c:32]3[O:33][C:34]([F:35])([F:36])[F:37])[cH:23][c:24]21

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 1140TolueneHCID 5437ThiazolidinedioneHCID 8082PiperidineHCID 8857Ethyl AcetateHCID 21966438HCID 21966438, compound

Product 1

HCID 86590247HCID 86590247, compound

Sources & evidence

ORD record
ord-055dc9f13d454a508eecaa2d1ad76a24
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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