Benzene → HCID 21481868, compound

HRID 112421Notes

Reaction equation

HRID 112421 reaction equation
[CH3:18][C:19](=[O:20])[O:21][C:22](=[O:23])[CH3:24].[CH:1]1([c:4]2[n:5][n:6][c:7]([N:9]3[C:10](=[O:17])[N:11]([CH3:16])[CH2:12][CH2:13][CH:14]3[OH:15])[s:8]2)[CH2:2][CH2:3]1.[c:25]1([CH3:26])[c:27]([S:28]([OH:29])(=[O:30])=[O:31])[cH:32][cH:33][cH:34][cH:35]1.[cH:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[CH:1]1([c:4]2[n:5][n:6][c:7]([N:9]3[C:10](=[O:17])[N:11]([CH3:16])[CH2:12][CH2:13][CH:14]3[O:15][C:19]([CH3:18])=[O:20])[s:8]2)[CH2:2][CH2:3]1

Participants

5

Reactant 4

HCID 241BenzeneHCID 69252-Methylbenzenesulfonic acidHCID 7918Acetic AnhydrideHCID 21418670tetrahydro-1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-6-hydroxy-2(1H)-pyrimidinone

Product 1

HCID 21481868HCID 21481868, compound

Sources & evidence

ORD record
ord-e06c6dada3b8469f9ea73e090e13803c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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