Water → Tert-butyl 4-[5-(3-amino-5-methylphenyl)-1,3-thiazol-2-yl]-4-hydroxycyclohexanecarboxylate
Reaction equation
[Br:18][c:19]1[cH:20][n:21][c:22]([C:24]2([OH:37])[CH2:25][CH2:26][CH:27]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:28][CH2:29]2)[s:23]1.[C:72](=[O:73])([O-:74])[O-:75].[CH3:1][c:2]1[cH:3][c:4]([NH2:5])[cH:6][c:7]([B:9]2[O:10][C:11]([CH3:12])([CH3:13])[C:14]([CH3:15])([CH3:16])[O:17]2)[cH:8]1.[CH:38]1([P:39]([CH:40]2[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2-[c:52]2[c:53]([CH:54]([CH3:55])[CH3:56])[cH:57][c:58]([CH:59]([CH3:60])[CH3:61])[cH:62][c:63]2[CH:64]([CH3:65])[CH3:66])[CH2:67][CH2:68][CH2:69][CH2:70][CH2:71]1.[Cs+:76].[Cs+:77].[O:116]=[C:117]([CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1)[CH:126]=[CH:127][c:128]1[cH:129][cH:130][cH:131][cH:132][cH:133]1.[O:135]1[CH2:136][CH2:137][O:138][CH2:139][CH2:140]1.[O:80]=[C:81]([CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1)[CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[O:98]=[C:99]([CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1)[CH:108]=[CH:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1.[OH2:134].[Pd:78].[Pd:79]>>[CH3:1][c:2]1[cH:3][c:4]([NH2:5])[cH:6][c:7](-[c:19]2[cH:20][n:21][c:22]([C:24]3([OH:37])[CH2:25][CH2:26][CH:27]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:28][CH2:29]3)[s:23]2)[cH:8]1Participants
10
Reactant 9
HCID 962Water
HCID 19660Carbonate Ion
HCID 23938Palladium2×
HCID 312751,4-Dioxane
HCID 95417Dibenzylidene acetone3×
HCID 104967Cesium cation2×
HCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl
HCID 672361713-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
HCID 70926225Tert-butyl 4-(5-bromo-1,3-thiazol-2-yl)-4-hydroxycyclohexanecarboxylateProduct 1
Sources & evidence
- ORD record
- ord-b2202bb7991147dbbd4f6ffffcd0684e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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