Acetic Acid → HCID 54051251, compound

HRID 312458Notes

Reaction equation

HRID 312458 reaction equation
[CH2:32]1[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]1.[CH3:1][S:2](=[O:3])(=[O:4])[O:5][c:6]1[c:7]([O:23][CH3:24])[cH:8][c:9]([CH2:12][CH2:13][O:14][c:15]2[cH:16][cH:17][c:18]([CH:21]=[O:22])[cH:19][cH:20]2)[cH:10][cH:11]1.[CH3:38][C:39](=[O:40])[OH:41].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[OH2:49].[S:25]1[C:26](=[O:31])[NH:27][C:28](=[O:30])[CH2:29]1>>[CH3:1][S:2](=[O:3])(=[O:4])[O:5][c:6]1[c:7]([O:23][CH3:24])[cH:8][c:9]([CH2:12][CH2:13][O:14][c:15]2[cH:16][cH:17][c:18]([CH:21]=[C:29]3[S:25][C:26](=[O:31])[NH:27][C:28]3=[O:30])[cH:19][cH:20]2)[cH:10][cH:11]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 962WaterHCID 1140TolueneHCID 5437ThiazolidinedioneHCID 8082PiperidineHCID 21704994HCID 21704994, compound

Product 1

HCID 54051251HCID 54051251, compound

Sources & evidence

ORD record
ord-e03a7477a6ce4d2b869112bab5e0e47a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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