Acetate → 5-cyclopropyl-2-{4-[(2-fluorophenyl)amino]phenyl}-6-[(3-hydroxypropyl)(methylsulfonyl)amino]-N-methyl-2H-indazole-3-carboxamide

HRID 297958Notes

Reaction equation

HRID 297958 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.[C:106]([O-:107])(=[O:108])[CH3:109].[C:111]([O-:112])(=[O:113])[CH3:114].[C:87](=[O:88])([O-:89])[O-:90].[CH3:100][CH2:101][O:102][C:103]([CH3:104])=[O:105].[CH3:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1.[Cs+:91].[Cs+:92].[NH2:33][c:34]1[cH:35][cH:36][cH:37][cH:38][c:39]1[F:40].[Pd+2:110].[c:41]1([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][c:52]3[c:53]([cH:54][cH:55][cH:56][cH:57]3)[c:58]2-[c:59]2[c:60]3[c:61]([cH:62][cH:63][cH:64][cH:65]3)[cH:66][cH:67][c:68]2[P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83][cH:84][cH:85][cH:86]1>>[c:2]1([NH:33][c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]2[F:40])[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

Participants

10

Reactant 9

HCID 175Acetate2×HCID 1140TolueneHCID 8857Ethyl AcetateHCID 95842-FluoroanilineHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 569627692-(4-bromophenyl)-5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methyl-indazole-3-carboxamide

Product 1

HCID 569627705-cyclopropyl-2-{4-[(2-fluorophenyl)amino]phenyl}-6-[(3-hydroxypropyl)(methylsulfonyl)amino]-N-methyl-2H-indazole-3-carboxamide

Sources & evidence

ORD record
ord-e5ba27aca59b41bfa5c6b88ab55e8ac8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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