Acetone → Ethyl 4-(4-cyanophenyl)-2-[(1H-imidazol-2-ylmethyl)sulfanyl]-6-methyl-1-[3-(trifluoromethyl)phenyl]-1,4-dihydro-5-pyrimidinecarboxylate
Reaction equation
[Br:33][CH2:34][c:35]1[nH:36][cH:37][cH:38][n:39]1.[BrH:32].[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH:9]2[NH:10][C:11](=[S:31])[N:12]([c:21]3[cH:22][c:23]([C:27]([F:28])([F:29])[F:30])[cH:24][cH:25][cH:26]3)[C:13]([CH3:20])=[C:14]2[C:15](=[O:16])[O:17][CH2:18][CH3:19])[cH:7][cH:8]1.[C:40](=[O:41])([O-:42])[O-:43].[CH2:47]([N+:48]([CH2:49][CH2:50][CH2:51][CH3:52])([CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH3:63].[CH3:64][C:65](=[O:66])[CH3:67].[I-:46].[K+:44].[K+:45]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH:9]2[N:10]=[C:11]([S:31][CH2:34][c:35]3[nH:36][cH:37][cH:38][n:39]3)[N:12]([c:21]3[cH:22][c:23]([C:27]([F:28])([F:29])[F:30])[cH:24][cH:25][cH:26]3)[C:13]([CH3:20])=[C:14]2[C:15](=[O:16])[O:17][CH2:18][CH3:19])[cH:7][cH:8]1Participants
9
Reactant 8
HCID 180Acetone
HCID 260Hydrogen Bromide
HCID 813Potassium Cation2×
HCID 16028Tetrabutylammonium
HCID 19660Carbonate Ion
HCID 30165Iodide Ion
HCID 218933732-(Bromomethyl)-1H-imidazole
HCID 57762441Ethyl 4-(4-cyanophenyl)-6-methyl-2-thioxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylateProduct 1
Sources & evidence
- ORD record
- ord-f6d7d2b0060540cab1fdbb760030fe06
- Source dataset
- Validation data from https://doi.org/10.1039/C8SC04228D
Reaction notes
Loading…