Toluene → 2-(3-[2-(5-Ethyl-pyridin-2-yl)-vinyl]-1H-indazol-6-ylamino)-N-prop-2-ynyl-benzamide

HRID 2324460Notes

Reaction equation

HRID 2324460 reaction equation
[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6]([CH:9]=[CH:10][c:11]2[n:12][nH:13][c:14]3[cH:15][c:16]([NH:20][c:21]4[c:22]([C:23](=[O:24])[OH:25])[cH:26][cH:27][cH:28][cH:29]4)[cH:17][cH:18][c:19]23)[n:7][cH:8]1.[CH2:37]([C:38]#[CH:39])[NH2:40].[CH3:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[Cl:77][CH2:78][Cl:79].[F:30][C:31]([F:32])([F:33])[C:34]([OH:35])=[O:36].[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47].[n:48]1([O:49][C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]([CH3:55])[CH3:56])[c:57]2[n:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6]([CH:9]=[CH:10][c:11]2[n:12][nH:13][c:14]3[cH:15][c:16]([NH:20][c:21]4[c:22]([C:23](=[O:24])[NH:40][CH2:37][C:38]#[CH:39])[cH:26][cH:27][cH:28][cH:29]4)[cH:17][cH:18][c:19]23)[n:7][cH:8]1

Participants

9

Reactant 8

HCID 1140TolueneHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 9886HexafluorophosphateHCID 239041PropargylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 693546052-{3-[2-(5-Ethyl-pyridin-2-yl)-vinyl]-1H-indazol-6-ylamino}-benzoic acid

Product 1

HCID 865944612-(3-[2-(5-Ethyl-pyridin-2-yl)-vinyl]-1H-indazol-6-ylamino)-N-prop-2-ynyl-benzamide

Sources & evidence

ORD record
ord-2d9df17691124defb9a91e05ab7983c0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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