Acetate → t-butyl[4-(9-hydroxy-2-methyl-9-trifluoromethyl-9H-fluoren-4-yl)-pyrazol-1-yl]-acetate

HRID 1151717Notes

Reaction equation

HRID 1151717 reaction equation
[C:43](=[O:44])([O-:45])[OH:46].[C:85]([O-:86])(=[O:87])[CH3:88].[C:90]([O-:91])(=[O:92])[CH3:93].[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][n:11][n:12]([CH2:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[cH:13]2)[O:22]1.[CH:48]1([P:49]([CH:50]2[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2-[c:62]2[c:63]([O:64][CH3:65])[cH:66][cH:67][cH:68][c:69]2[O:70][CH3:71])[CH2:72][CH2:73][CH2:74][CH2:75][CH2:76]1.[Cl:23][c:24]1[cH:25][c:26]([CH3:42])[cH:27][c:28]2[c:36]1-[c:35]1[c:30]([cH:31][cH:32][cH:33][cH:34]1)[C:29]2([OH:37])[C:38]([F:39])([F:40])[F:41].[Na+:47].[OH2:77].[OH2:94].[Pd+2:89].[c:78]1([CH3:79])[cH:80][cH:81][cH:82][cH:83][cH:84]1>>[c:9]1(-[c:24]2[cH:25][c:26]([CH3:42])[cH:27][c:28]3[c:36]2-[c:35]2[c:30]([cH:31][cH:32][cH:33][cH:34]2)[C:29]3([OH:37])[C:38]([F:39])([F:40])[F:41])[cH:10][n:11][n:12]([CH2:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[cH:13]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962Water2×HCID 1140TolueneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 59216326tert-Butyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetateHCID 59492563(+)-4-chloro-2-methyl-9-trifluoromethyl-9H-fluoren-9-ol

Product 1

HCID 59492691t-butyl[4-(9-hydroxy-2-methyl-9-trifluoromethyl-9H-fluoren-4-yl)-pyrazol-1-yl]-acetate

Sources & evidence

ORD record
ord-0042d196cc83483893a167c63b1e8181
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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