Ethanol → tert-butyl 4-(4-(2-acetamidobenzo[d]thiazol-4-yloxy)-6-(4-(trifluoromethyl)phenyl)pyrimidin-2-yl)-5,6-dihydropyridine-1(2H)-carboxylate
Reaction equation
[C:54](=[O:55])([O-:56])[O-:57].[CH2:61]([CH2:62][O:63][CH3:64])[O:65][CH3:66].[CH3:109][CH2:110][OH:111].[CH3:32][C:33]1([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38][B:39]([C:40]2=[CH:41][CH2:42][N:43]([C:46](=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52])[CH2:44][CH2:45]2)[O:53]1.[Cl:1][c:2]1[n:3][c:4](-[c:22]2[cH:23][cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]2)[cH:5][c:6]([O:8][c:9]2[cH:10][cH:11][cH:12][c:13]3[c:14]2[n:15][c:16]([NH:18][C:19]([CH3:20])=[O:21])[s:17]3)[n:7]1.[Na+:58].[Na+:59].[OH2:60].[OH2:67].[Pd:68]([Cl:69])[Cl:70].[c:71]1([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:85][cH:86][cH:87][cH:88][cH:89]1.[c:90]1([P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[cH:104][cH:105][cH:106][cH:107][cH:108]1>>[c:2]1([C:40]2=[CH:41][CH2:42][N:43]([C:46](=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52])[CH2:44][CH2:45]2)[n:3][c:4](-[c:22]2[cH:23][cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]2)[cH:5][c:6]([O:8][c:9]2[cH:10][cH:11][cH:12][c:13]3[c:14]2[n:15][c:16]([NH:18][C:19]([CH3:20])=[O:21])[s:17]3)[n:7]1Participants
10
Reactant 9
HCID 702Ethanol
HCID 923Sodium ion2×
HCID 962Water2×
HCID 80711,2-Dimethoxyethane
HCID 11776Triphenylphosphine2×
HCID 19660Carbonate Ion
HCID 24290Palladium Chloride
HCID 4642098Tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylate
HCID 58612070N-{4-[2-chloro-6-(4-trifluoromethyl-phenyl)-pyrimidin-4-yloxy]-benzo[d]thiazol-2-yl}-acetamideProduct 1
Sources & evidence
- ORD record
- ord-c57be0e2d73a4541901d65e191227a0a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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