Dimethylformamide → methyl 3-[N-({6-amino-5-[(3-{[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)ethynyl]pyridin-3-yl}carbonyl)-S-methylsulfonimidoyl]benzoate

HRID 2128145Notes

Reaction equation

HRID 2128145 reaction equation
[CH3:29][S:30](=[O:31])(=[NH:32])[c:33]1[cH:34][c:35]([C:36](=[O:37])[O:38][CH3:39])[cH:40][cH:41][cH:42]1.[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[NH2:1][c:2]1[n:3][cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][c:10]1[C:11]#[C:12][c:13]1[cH:14][c:15]([NH:19][C:20](=[O:21])[c:22]2[cH:23][c:24]([CH3:28])[n:25][n:26]2[CH3:27])[cH:16][cH:17][cH:18]1.[O:52]=[CH:53][N:54]([CH3:55])[CH3:56]>>[NH2:1][c:2]1[n:3][cH:4][c:5]([C:6](=[O:7])[N:32]=[S:30]([CH3:29])(=[O:31])[c:33]2[cH:34][c:35]([C:36](=[O:37])[O:38][CH3:39])[cH:40][cH:41][cH:42]2)[cH:9][c:10]1[C:11]#[C:12][c:13]1[cH:14][c:15]([NH:19][C:20](=[O:21])[c:22]2[cH:23][c:24]([CH3:28])[n:25][n:26]2[CH3:27])[cH:16][cH:17][cH:18]1

Participants

5

Reactant 4

HCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 576578676-Amino-5-{3-[(2,5-dimethyl-2H-pyrazole-3-carbonyl)-amino]-phenylethynyl}-nicotinic acidHCID 57657957Methyl 3-[imino(methyl)oxo-lambda6-sulfanyl]benzoate

Product 1

HCID 57657929methyl 3-[N-({6-amino-5-[(3-{[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)ethynyl]pyridin-3-yl}carbonyl)-S-methylsulfonimidoyl]benzoate

Sources & evidence

ORD record
ord-0c2fb17290db495ba4d20dc9548397f5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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