Potassium Cation → Tert-butyl 4-[4-[5-(1,3-benzoxazol-2-yl)-6-(bis(tert-butoxycarbonyl)amino)-3-pyridyl]-3-(methoxymethyl)pyrazol-1-yl]piperidine-1-carboxylate
Reaction equation
[Br:40][c:41]1[c:42]([CH2:59][O:60][CH3:61])[n:43][n:44]([CH:46]2[CH2:47][CH2:48][N:49]([C:52](=[O:53])[O:54][C:55]([CH3:56])([CH3:57])[CH3:58])[CH2:50][CH2:51]2)[cH:45]1.[CH:62]1([P:63]([CH:64]2[CH2:65][CH2:66][CH2:67][CH2:68][CH2:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][c:75]2-[c:76]2[c:77]([O:78][CH3:79])[cH:80][cH:81][cH:82][c:83]2[O:84][CH3:85])[CH2:86][CH2:87][CH2:88][CH2:89][CH2:90]1.[K+:96].[K+:97].[K+:98].[O:99]1[CH2:100][CH2:101][O:102][CH2:103][CH2:104]1.[OH2:105].[P:91]([O-:92])([O-:93])([O-:94])=[O:95].[o:1]1[c:2](-[c:10]2[c:11]([N:25]([C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[n:12][cH:13][c:14]([B:16]3[O:17][C:18]([CH3:19])([CH3:20])[C:21]([CH3:22])([CH3:23])[O:24]3)[cH:15]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[o:1]1[c:2](-[c:10]2[c:11]([N:25]([C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[n:12][cH:13][c:14](-[c:41]3[c:42]([CH2:59][O:60][CH3:61])[n:43][n:44]([CH:46]4[CH2:47][CH2:48][N:49]([C:52](=[O:53])[O:54][C:55]([CH3:56])([CH3:57])[CH3:58])[CH2:50][CH2:51]4)[cH:45]3)[cH:15]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2Participants
8
Reactant 7
HCID 813Potassium Cation3×
HCID 962Water
HCID 1061Phosphate
HCID 312751,4-Dioxane
HCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenyl
HCID 67388042Tert-butyl 4-[4-bromo-3-(methoxymethyl)pyrazol-1-yl]piperidine-1-carboxylate
HCID 67388208Tert-butyl N-[3-(1,3-benzoxazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]-N-tert-butoxycarbonyl-carbamateProduct 1
Sources & evidence
- ORD record
- ord-07d4f47198b14df5944e5960b608f7e9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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