Acetic Acid → HCID 86625170, compound

HRID 1216390Notes

Reaction equation

HRID 1216390 reaction equation
[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6]([CH:9]([CH2:10][O:11][c:12]2[cH:13][cH:14][c:15]([CH:16]=[O:17])[cH:18][cH:19]2)[S:20](=[O:21])(=[O:22])[c:23]2[cH:24][cH:25][c:26]([CH3:27])[cH:28][cH:29]2)[n:7][cH:8]1.[CH2:41]1[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]1.[CH3:37][C:38](=[O:39])[OH:40].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[S:30]1[C:31](=[O:36])[NH:32][C:33](=[O:35])[CH2:34]1>>[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6]([CH:9]([CH2:10][O:11][c:12]2[cH:13][cH:14][c:15]([CH:16]=[C:34]3[S:30][C:31](=[O:36])[NH:32][C:33]3=[O:35])[cH:18][cH:19]2)[S:20](=[O:21])(=[O:22])[c:23]2[cH:24][cH:25][c:26]([CH3:27])[cH:28][cH:29]2)[n:7][cH:8]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 1140TolueneHCID 5437ThiazolidinedioneHCID 8082PiperidineHCID 73505384HCID 73505384, compound

Product 1

HCID 86625170HCID 86625170, compound

Sources & evidence

ORD record
ord-210091da390243118a694ea7bf56e3e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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