Dimethyl Sulfoxide → 1-{[3-Fluoro-4-(methyloxy)phenyl]methyl}-4-(methyloxy)-1H-indazol-3-amine

HRID 136202Notes

Reaction equation

HRID 136202 reaction equation
[Br:53][CH2:54][c:55]1[cH:56][c:57]([F:63])[c:58]([O:61][CH3:62])[cH:59][cH:60]1.[CH3:13][C:14]([N:15]([CH2:16][c:17]1[cH:18][cH:19][cH:20][c:21]([CH2:22][n:23]2[c:24]3[c:25]([c:26]([C:27](=[O:28])[CH3:29])[cH:30][cH:31][cH:32]3)[c:33]([NH:34][S:35]([c:36]3[s:37][c:38]([Cl:39])[cH:40][cH:41]3)(=[O:42])=[O:43])[n:44]2)[cH:45]1)[C:46](=[O:47])[O-:48])([CH3:49])[CH3:50].[CH3:1][O:2][c:3]1[c:4]2[c:5]([NH2:12])[n:6][nH:7][c:8]2[cH:9][cH:10][cH:11]1.[CH3:64][S:65]([CH3:66])=[O:67].[CH3:68][CH2:69][O:70][C:71]([CH3:72])=[O:73].[Cl:74][CH2:75][Cl:76].[K+:52].[OH-:51]>>[CH3:1][O:2][c:3]1[c:4]2[c:5]([NH2:12])[n:6][n:7]([CH2:54][c:55]3[cH:56][c:57]([F:63])[c:58]([O:61][CH3:62])[cH:59][cH:60]3)[c:8]2[cH:9][cH:10][cH:11]1

Participants

9

Reactant 8

HCID 679Dimethyl SulfoxideHCID 813Potassium CationHCID 961HydroxideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 27745534-(Bromomethyl)-2-fluoro-1-methoxybenzeneHCID 185260534-Methoxy-1H-indazol-3-amineHCID 866448151,1-dimethylethyl({3-[(4-acetyl-3-{[(5-chloro-2-thienyl)sulfonyl]amino}-1H-indazol-1-yl)methyl]phenyl}methyl)carbamate

Product 1

HCID 580545111-{[3-Fluoro-4-(methyloxy)phenyl]methyl}-4-(methyloxy)-1H-indazol-3-amine

Sources & evidence

ORD record
ord-42b16c8574b64ff288fd1cfe48024725
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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