Acetic Acid → Troglitazone

HRID 1565794Notes

Reaction equation

HRID 1565794 reaction equation
[CH3:32][C:33]([OH:34])=[O:35].[ClH:36].[OH2:37].[OH:1][c:2]1[c:3]([CH3:31])[c:4]2[c:9]([c:10]([CH3:13])[c:11]1[CH3:12])[O:8][C:7]([CH3:14])([CH2:15][O:16][c:17]1[cH:18][cH:19][c:20]([CH2:21][CH:22]3[C:23](=[O:28])[NH:24][C:25](=[NH:27])[S:26]3)[cH:29][cH:30]1)[CH2:6][CH2:5]2>>[OH:1][c:2]1[c:3]([CH3:31])[c:4]2[c:9]([c:10]([CH3:13])[c:11]1[CH3:12])[O:8][C:7]([CH3:14])([CH2:15][O:16][c:17]1[cH:18][cH:19][c:20]([CH2:21][CH:22]3[C:23](=[O:28])[NH:24][C:25](=[O:34])[S:26]3)[cH:29][cH:30]1)[CH2:6][CH2:5]2

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 962WaterHCID 1403415895-[[4-[(6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methyl]-2-imino-1,3-thiazolidin-4-one

Product 1

HCID 5591Troglitazone

Sources & evidence

ORD record
ord-5dbd5fdb47d84dcbb2e429c1a35c80f5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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