Acetate → 6-(4-Methoxy-phenyl)-5-methyl-4-(4-phenoxy-phenylamino)-pyrrolo[1,2-b]pyridazine-3-carbonitrile
Reaction equation
[C:1](#[N:2])[c:3]1[c:4]([NH:21][c:22]2[cH:23][cH:24][c:25]([O:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[cH:26][cH:27]2)[c:5]2[n:6]([n:7][cH:8]1)[cH:9][c:10]([O:13][S:14]([C:15]([F:16])([F:17])[F:18])(=[O:19])=[O:20])[c:11]2[CH3:12].[CH3:35][O:36][c:37]1[cH:38][cH:39][c:40]([B:43]([OH:44])[OH:45])[cH:41][cH:42]1.[CH3:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[CH:46]1([P:47]([CH:48]2[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2-[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[CH2:66][CH2:67][CH2:68][CH2:69][CH2:70]1.[K+:76].[K+:77].[K+:78].[O-:87][C:88]([CH3:89])=[O:90].[O-:91][C:92]([CH3:93])=[O:94].[P:71]([O-:72])([O-:73])([O-:74])=[O:75].[Pd+2:86]>>[C:1](#[N:2])[c:3]1[c:4]([NH:21][c:22]2[cH:23][cH:24][c:25]([O:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[cH:26][cH:27]2)[c:5]2[n:6]([n:7][cH:8]1)[cH:9][c:10](-[c:40]1[cH:39][cH:38][c:37]([O:36][CH3:35])[cH:42][cH:41]1)[c:11]2[CH3:12]Participants
9
Reactant 8
HCID 175Acetate2×
HCID 813Potassium Cation3×
HCID 1061Phosphate
HCID 1140Toluene
HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)
HCID 201262(4-Methoxyphenyl)boronic acid
HCID 27342162-(Dicyclohexylphosphino)biphenyl
HCID 86594742Trifluoro-methanesulfonic acid 3-cyano-5-methyl-4-(4-phenoxy-phenylamino)-pyrrolo[1,2-b]pyridazin-6-yl esterProduct 1
Sources & evidence
- ORD record
- ord-ca6f54330274498c9074c942043783d5
- Source dataset
- Validation data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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