Ethanol → [4-(5-Chloro-2-methoxypyridin-3-yl)-3-trifluoromethoxy-benzyl]-carbamic acid-tert-butyl ester
Reaction equation
[BH:29]([OH:30])[OH:31].[C:131]([O:132][CH2:133][CH3:134])(=[O:135])[CH3:136].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[cH:11][c:12]([O:24][C:25]([F:26])([F:27])[F:28])[c:13]([O:16][S:17]([C:18]([F:19])([F:20])[F:21])(=[O:22])=[O:23])[cH:14][cH:15]1.[CH3:137][CH2:138][CH2:139][CH2:140][CH2:141][CH2:142][CH3:143].[CH3:144][CH2:145][OH:146].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[Cl:32][c:33]1[cH:34][cH:35][c:36]([O:39][CH3:40])[n:37][cH:38]1.[Na+:48].[Na+:49].[O-:50][C:51](=[O:52])[O-:53].[Pd:54].[c:112]1([P:113]([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127][cH:128][cH:129][cH:130]1.[c:55]1([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70][cH:71][cH:72][cH:73]1.[c:74]1([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[cH:88][cH:89][cH:90][cH:91][cH:92]1.[c:93]1([P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[cH:107][cH:108][cH:109][cH:110][cH:111]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[cH:11][c:12]([O:24][C:25]([F:26])([F:27])[F:28])[c:13](-[c:35]2[cH:34][c:33]([Cl:32])[cH:38][n:37][c:36]2[O:39][CH3:40])[cH:14][cH:15]1Participants
12
Reactant 11
HCID 702Ethanol
HCID 923Sodium ion2×
HCID 1140Toluene
HCID 8857Ethyl Acetate
HCID 8900Heptane
HCID 11776Triphenylphosphine4×
HCID 19660Carbonate Ion
HCID 23938Palladium
HCID 61668Boronic Acid
HCID 47382765-Chloro-2-methoxypyridine
HCID 86613380Trifluoro-methanesulfonicacid-4-(tert-butoxycarbonylaminomethyl)-2-trifluoromethoxy-phenyl esterProduct 1
Sources & evidence
- ORD record
- ord-c95ac04c4198458c88b9159339c9da74
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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