Potassium Cation → 5-Methyl-thiazole-2-carboxylic acid (3-[methyl-(3-styryl-1H-indazol-6-yl)-amino]-phenyl]-amide

HRID 176921Notes

Reaction equation

HRID 176921 reaction equation
[CH3:1][N:2]([c:3]1[cH:4][c:5]([NH2:9])[cH:6][cH:7][cH:8]1)[c:10]1[cH:11][cH:12][c:13]2[c:14]([CH:19]=[CH:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[n:15][nH:16][c:17]2[cH:18]1.[CH3:27][c:28]1[cH:29][n:30][c:31]([C:33](=[O:34])[OH:35])[s:32]1.[CH3:71][CH2:72][O:73][C:74]([CH3:75])=[O:76].[CH3:80][CH2:81][O:82][C:83]([CH3:84])=[O:85].[Cl:77][CH2:78][Cl:79].[K+:60].[K+:61].[O-:62][C:63]([O-:64])=[O:65].[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[n:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[CH3:1][N:2]([c:3]1[cH:4][c:5]([NH:9][C:33]([c:31]2[n:30][cH:29][c:28]([CH3:27])[s:32]2)=[O:34])[cH:6][cH:7][cH:8]1)[c:10]1[cH:11][cH:12][c:13]2[c:14]([CH:19]=[CH:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[n:15][nH:16][c:17]2[cH:18]1

Participants

10

Reactant 9

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl Acetate2×HCID 9886HexafluorophosphateHCID 19660Carbonate IonHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 218773495-Methyl-1,3-thiazole-2-carboxylic acidHCID 69370903N-methyl-N-(3-styryl-1H-indazol-6-yl)-benzene-1,3-diamine

Product 1

HCID 698723055-Methyl-thiazole-2-carboxylic acid (3-[methyl-(3-styryl-1H-indazol-6-yl)-amino]-phenyl]-amide

Sources & evidence

ORD record
ord-a7a45180bd5749618df6eb2092db8e08
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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