Sodium ion → 8-(2-Fluoro-4-methylsulfanyl-phenylamino)-imidazo[1,5-a]pyridine-7-carboxylic acid (2-vinyloxy-ethoxy)-amide

HRID 1553908Notes

Reaction equation

HRID 1553908 reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([NH:14][c:15]2[c:16]([F:23])[cH:17][c:18]([S:21][CH3:22])[cH:19][cH:20]2)[c:7]2[n:8]([cH:9][cH:10]1)[cH:11][n:12][cH:13]2.[CH3:33][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH2:39][CH2:40][N:41]([CH3:42])[CH3:43].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[CH:26](=[CH2:27])[O:28][CH2:29][CH2:30][O:31][NH2:32].[Na+:25].[OH-:24].[OH:44][n:45]1[c:46]2[c:47]([cH:48][cH:49][cH:50][cH:51]2)[n:52][n:53]1>>[C:3](=[O:4])([c:5]1[c:6]([NH:14][c:15]2[c:16]([F:23])[cH:17][c:18]([S:21][CH3:22])[cH:19][cH:20]2)[c:7]2[n:8]([cH:9][cH:10]1)[cH:11][n:12][cH:13]2)[NH:32][O:31][CH2:30][CH2:29][O:28][CH:26]=[CH2:27]

Participants

8

Reactant 7

HCID 923Sodium ionHCID 961HydroxideHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 21867017O-(2-(Vinyloxy)ethyl)hydroxylamineHCID 595652258-(2-Fluoro-4-methylsulfanyl-phenylamino)-imidazo[1,5-a]pyridine-7-carboxylic acid methyl ester

Product 1

HCID 595652208-(2-Fluoro-4-methylsulfanyl-phenylamino)-imidazo[1,5-a]pyridine-7-carboxylic acid (2-vinyloxy-ethoxy)-amide

Sources & evidence

ORD record
ord-1a4abfa1e9e04951bd0309d370fdbf1c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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