Acetate → 5-cyclopropyl-2-(4-cyclopropylphenyl)-6-[(3-hydroxypropyl)(methylsulfonyl)amino]-N-methyl-2H-indazole-3-carboxamide
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]3[cH:11][c:12]([N:24]([S:25](=[O:26])(=[O:27])[CH3:28])[CH2:29][CH2:30][CH2:31][OH:32])[c:13]([CH:21]4[CH2:22][CH2:23]4)[cH:14][c:15]3[c:16]2[C:17](=[O:18])[NH:19][CH3:20])[cH:6][cH:7]1.[CH3:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[CH:33]1([B:36]([OH:37])[OH:38])[CH2:34][CH2:35]1.[CH:47]1([P:48]([CH:49]2[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54]2)[CH:55]2[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]2)[CH2:61][CH2:62][CH2:63][CH2:64][CH2:65]1.[K+:44].[K+:45].[K+:46].[O-:75][C:76]([CH3:77])=[O:78].[O-:79][C:80]([CH3:81])=[O:82].[OH2:73].[P:39]([O-:40])([O-:41])([O-:42])=[O:43].[Pd+2:74]>>[c:2]1([CH:33]2[CH2:34][CH2:35]2)[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]3[cH:11][c:12]([N:24]([S:25](=[O:26])(=[O:27])[CH3:28])[CH2:29][CH2:30][CH2:31][OH:32])[c:13]([CH:21]4[CH2:22][CH2:23]4)[cH:14][c:15]3[c:16]2[C:17](=[O:18])[NH:19][CH3:20])[cH:6][cH:7]1Participants
10
Reactant 9
HCID 175Acetate2×
HCID 813Potassium Cation3×
HCID 962Water
HCID 1061Phosphate
HCID 1140Toluene
HCID 75806Tricyclohexylphosphine
HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)
HCID 2760897Cyclopropylboronic acid
HCID 569627692-(4-bromophenyl)-5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methyl-indazole-3-carboxamideProduct 1
Sources & evidence
- ORD record
- ord-0e17f7dce213448897e1af084dc87115
- Source dataset
- Validation data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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