Benzene → tetrahydro-1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-6-[alpha-(3,5-dinitrophenyl)acetyloxy]-2(1H)-pyrimidinone

HRID 119401Notes

Reaction equation

HRID 119401 reaction equation
[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][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.[N+:25](=[O:26])([O-:27])[c:28]1[cH:29][c:30]([CH2:37][C:38](=[O:39])[Cl:40])[cH:31][c:32]([N+:34](=[O:35])[O-:36])[cH:33]1.[cH:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]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:38]([CH2:37][c:30]3[cH:29][c:28]([N+:25](=[O:26])[O-:27])[cH:33][c:32]([N+:34](=[O:35])[O-:36])[cH:31]3)=[O:39])[s:8]2)[CH2:2][CH2:3]1

Participants

5

Reactant 4

HCID 241BenzeneHCID 8471TriethylamineHCID 21418670tetrahydro-1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-6-hydroxy-2(1H)-pyrimidinoneHCID 21455466alpha-(3,5-Dinitrophenyl)acetyl chloride

Product 1

HCID 21481865tetrahydro-1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-6-[alpha-(3,5-dinitrophenyl)acetyloxy]-2(1H)-pyrimidinone

Sources & evidence

ORD record
ord-4a3952ef210c4d5eb947db9d84387c4a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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