Ammonia → 5-(2-Cyclohexylaminothiazol-4-ylmethylene)rhodanine-3-acetic acid

HRID 1141746Notes

Reaction equation

HRID 1141746 reaction equation
[CH3:29][CH2:30][OH:31].[CH:1]1([NH:7][c:8]2[s:9][cH:10][c:11]([CH:13]=[O:14])[n:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl-:26].[NH3:28].[NH4+:27].[S:15]1[C:16](=[S:17])[N:18]([CH2:22][C:23](=[O:24])[OH:25])[C:19](=[O:20])[CH2:21]1>>[CH:1]1([NH:7][c:8]2[s:9][cH:10][c:11]([CH:13]=[C:21]3[S:15][C:16](=[S:17])[N:18]([CH2:22][C:23](=[O:24])[OH:25])[C:19]3=[O:20])[n:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 222AmmoniaHCID 223AmmoniumHCID 312ChlorideHCID 702EthanolHCID 797933-Thiazolidineacetic acid, 4-oxo-2-thioxo-HCID 150535772-Cyclohexylaminothiazole-4-carbaldehyde

Product 1

HCID 542154765-(2-Cyclohexylaminothiazol-4-ylmethylene)rhodanine-3-acetic acid

Sources & evidence

ORD record
ord-69b3a41aa1ec4a319ae5abc578080bfe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…