Benzene → tetrahydro-1-(5-t-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-6-[beta-(4-chlorophenyl)propionyloxy]-2 (1H)-pyrimidinone

HRID 1553929Notes

Reaction equation

HRID 1553929 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].[Cl:26][c:27]1[cH:28][cH:29][c:30]([CH2:33][CH2:34][C:35](=[O:36])[Cl:37])[cH:31][cH:32]1.[cH:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]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:35]([CH2:34][CH2:33][c:30]2[cH:29][cH:28][c:27]([Cl:26])[cH:32][cH:31]2)=[O:36])[s:9]1

Participants

5

Reactant 4

HCID 241BenzeneHCID 8471TriethylamineHCID 122065164-Chlorobenzenepropanoyl chlorideHCID 21400082tetrahydro-1-(5-t-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-6-hydroxy-2(1H)-pyrimidinone

Product 1

HCID 21455472tetrahydro-1-(5-t-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-6-[beta-(4-chlorophenyl)propionyloxy]-2 (1H)-pyrimidinone

Sources & evidence

ORD record
ord-e0a3ba0401054255a536a9bd600885fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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