Dimethylformamide → 5-(2-Fluoro-4-iodo-phenylamino)-imidazo[1,5-a]pyrazine-6-carboxylic acid (2-vinyloxy-ethoxy)-amide

HRID 2147742Notes

Reaction equation

HRID 2147742 reaction equation
[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[CH:22](=[CH2:23])[O:24][CH2:25][CH2:26][O:27][NH2:28].[CH:53]([N:54]([CH2:55][CH3:56])[CH:57]([CH3:58])[CH3:59])([CH3:60])[CH3:61].[F:1][c:2]1[c:3]([NH:9][c:10]2[c:11]([C:19](=[O:20])[OH:21])[n:12][cH:13][c:14]3[n:15]2[cH:16][n:17][cH:18]3)[cH:4][cH:5][c:6]([I:8])[cH:7]1.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[n:36]1([O:37][C:38]([N:39]([CH3:40])[CH3:41])=[N+:42]([CH3:43])[CH3:44])[c:45]2[n:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[F:1][c:2]1[c:3]([NH:9][c:10]2[c:11]([C:19](=[O:21])[NH:28][O:27][CH2:26][CH2:25][O:24][CH:22]=[CH2:23])[n:12][cH:13][c:14]3[n:15]2[cH:16][n:17][cH:18]3)[cH:4][cH:5][c:6]([I:8])[cH:7]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 21867017O-(2-(Vinyloxy)ethyl)hydroxylamineHCID 591401265-(2-Fluoro-4-iodo-phenylamino)-imidazo[1,5-a]pyrazine-6-carboxylic acid

Product 1

HCID 591401785-(2-Fluoro-4-iodo-phenylamino)-imidazo[1,5-a]pyrazine-6-carboxylic acid (2-vinyloxy-ethoxy)-amide

Sources & evidence

ORD record
ord-83f22ba0c4074b508a3d5d53f9b20d86
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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