Benzene → HCID 21481881, compound

HRID 1132783Notes

Reaction equation

HRID 1132783 reaction equation
[CH3:22][C:23](=[O:24])[O:25][C:26](=[O:27])[CH3:28].[CH:1]1([c:8]2[n:9][n:10][c:11]([N:13]3[C:14](=[O:21])[N:15]([CH3:20])[CH2:16][CH2:17][CH:18]3[OH:19])[s:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[c:29]1([CH3:30])[c:31]([S:32]([OH:33])(=[O:34])=[O:35])[cH:36][cH:37][cH:38][cH:39]1.[cH:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[CH:1]1([c:8]2[n:9][n:10][c:11]([N:13]3[C:14](=[O:21])[N:15]([CH3:20])[CH2:16][CH2:17][CH:18]3[O:19][C:23]([CH3:22])=[O:24])[s:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1

Participants

5

Reactant 4

HCID 241BenzeneHCID 69252-Methylbenzenesulfonic acidHCID 7918Acetic AnhydrideHCID 21481857tetrahydro-1-(5-cycloheptyl-1,3,4-thiadiazol-2-yl)-3-methyl-6-hydroxy-2(1H)-pyrimidinone

Product 1

HCID 21481881HCID 21481881, compound

Sources & evidence

ORD record
ord-05a6539b93cc4abdb740f19bdabea9de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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