Acetate → HCID 66711030, compound
Reaction equation
[Br:20][c:21]1[cH:22][cH:23][c:24]2[cH:25][n:26][c:27]([NH:30][c:31]3[cH:32][c:33]([N:37]4[CH2:38][CH2:39][O:40][CH2:41][CH2:42]4)[cH:34][cH:35][cH:36]3)[n:28][n:29]12.[C:101]([O-:102])(=[O:103])[CH3:104].[C:74]([O-:75])(=[O:76])[CH3:77].[CH3:71][CH2:72][OH:73].[Cl-:64].[Cl:43][c:44]1[cH:45][cH:46][c:47]([C:48]([F:49])([F:50])[F:51])[cH:52][c:53]1[B:54]([OH:55])[OH:56].[Na+:57].[Na+:58].[Na+:63].[O-:59][C:60](=[O:61])[O-:62].[O:65]1[CH2:66][CH2:67][CH2:68][CH2:69]1.[O:79]1[CH2:80][CH2:81][N:82]([c:83]2[cH:84][c:85]([NH:86][c:87]3[n:88][cH:89][c:90]4[cH:91][cH:92][cH:93][n:94]4[n:95]3)[cH:96][cH:97][cH:98]2)[CH2:99][CH2:100]1.[OH2:70].[Pd+2:78].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[cH:21]1[cH:22][cH:23][c:24]2[cH:25][n:26][c:27]([NH:30][c:31]3[cH:32][c:33]([N:37]4[CH2:38][CH2:39][O:40][CH2:41][CH2:42]4)[cH:34][cH:35][cH:36]3)[n:28][n:29]12Participants
13
Reactant 12
HCID 175Acetate2×
HCID 312Chloride
HCID 702Ethanol
HCID 923Sodium ion3×
HCID 962Water
HCID 8028Tetrahydrofuran
HCID 11776Triphenylphosphine
HCID 19660Carbonate Ion
HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)
HCID 27826702-Chloro-5-(trifluoromethyl)phenylboronic acid
HCID 66711030HCID 66711030, compound
HCID 66711115HCID 66711115, compoundProduct 1
Sources & evidence
- ORD record
- ord-3eb1a502baf440dca123cfc32c510dcf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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