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

HRID 138944Notes

Reaction equation

HRID 138944 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7][c:8]([N:10]2[C:11](=[O:18])[N:12]([CH3:17])[CH2:13][CH2:14][CH:15]2[OH:16])[s:9]1.[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[N+:26](=[O:27])([O-:28])[c:29]1[cH:30][c:31]([CH2:38][C:39](=[O:40])[Cl:41])[cH:32][c:33]([N+:35](=[O:36])[O-:37])[cH:34]1.[cH:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7][c:8]([N:10]2[C:11](=[O:18])[N:12]([CH3:17])[CH2:13][CH2:14][CH:15]2[O:16][C:39]([CH2:38][c:31]2[cH:30][c:29]([N+:26](=[O:27])[O-:28])[cH:34][c:33]([N+:35](=[O:36])[O-:37])[cH:32]2)=[O:40])[s:9]1

Participants

5

Reactant 4

HCID 241BenzeneHCID 8471TriethylamineHCID 21400082tetrahydro-1-(5-t-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-6-hydroxy-2(1H)-pyrimidinoneHCID 21455466alpha-(3,5-Dinitrophenyl)acetyl chloride

Product 1

HCID 21455436tetrahydro-1-(5-t-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-6-[alpha-(3,5-dinitrophenyl)acetyloxy]-2 (1H)-pyrimidinone

Sources & evidence

ORD record
ord-6564c49031b040899dba4dfa11124fa9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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