Acetate → Ethyl 6-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-1-(1-hydroxypropan-2-yl)-4-oxoquinoline-3-carboxylate
Reaction equation
[C:52](=[O:53])([O-:54])[O-:55].[CH2:22]([CH3:23])[NH:24][C:25](=[O:26])[NH:27][c:28]1[n:29][cH:30][c:31]([B:43]2[O:44][C:45]([CH3:46])([CH3:47])[C:48]([CH3:49])([CH3:50])[O:51]2)[c:32](-[c:34]2[s:35][cH:36][c:37]([C:39]([F:40])([F:41])[F:42])[n:38]2)[cH:33]1.[CH3:58][C:59]#[N:60].[K+:56].[K+:57].[O-:63][C:64]([CH3:65])=[O:66].[O-:67][C:68]([CH3:69])=[O:70].[OH2:61].[OH:1][CH2:2][CH:3]([CH3:4])[n:5]1[cH:6][c:7]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[c:8](=[O:16])[c:9]2[cH:10][c:11]([I:15])[cH:12][cH:13][c:14]12.[Pd+2:62]>>[OH:1][CH2:2][CH:3]([CH3:4])[n:5]1[cH:6][c:7]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[c:8](=[O:16])[c:9]2[cH:10][c:11](-[c:31]3[cH:30][n:29][c:28]([NH:27][C:25]([NH:24][CH2:22][CH3:23])=[O:26])[cH:33][c:32]3-[c:34]3[s:35][cH:36][c:37]([C:39]([F:40])([F:41])[F:42])[n:38]3)[cH:12][cH:13][c:14]12Participants
9
Reactant 8
HCID 175Acetate2×
HCID 813Potassium Cation2×
HCID 962Water
HCID 6342Acetonitrile
HCID 19660Carbonate Ion
HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)
HCID 592084681-Ethyl-3-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(4-(trifluoromethyl)thiazol-2-yl)pyridin-2-yl)urea
HCID 72278111Ethyl 1-(1-hydroxypropan-2-yl)-6-iodo-4-oxoquinoline-3-carboxylateProduct 1
Sources & evidence
- ORD record
- ord-a74b38b86c714acfa42e5b8884c0c6e8
- Source dataset
- Validation data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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