Methyl 3-[4-(S-methylsulfonimidoyl)phenyl]propanoate → Methyl 3-{4-[N-({6-amino-5-[(3-{[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)ethynyl]pyridin-3-yl}carbonyl)-S-methylsulfonimidoyl]phenyl}propanoate

HRID 1150403Notes

Reaction equation

HRID 1150403 reaction equation
[CH3:29][S:30](=[O:31])(=[NH:32])[c:33]1[cH:34][cH:35][c:36]([CH2:39][CH2:40][C:41](=[O:42])[O:43][CH3:44])[cH:37][cH:38]1.[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[n:23]([CH3:28])[n:24][c:25]([CH3:27])[cH:26]2)[cH:16][cH:17][cH:18]1>>[NH2:1][c:2]1[n:3][cH:4][c:5]([C:6](=[O:8])[N:32]=[S:30]([CH3:29])(=[O:31])[c:33]2[cH:34][cH:35][c:36]([CH2:39][CH2:40][C:41](=[O:42])[O:43][CH3:44])[cH:37][cH:38]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[n:23]([CH3:28])[n:24][c:25]([CH3:27])[cH:26]2)[cH:16][cH:17][cH:18]1

Participants

3

Reactant 2

HCID 57657822Methyl 3-[4-(S-methylsulfonimidoyl)phenyl]propanoateHCID 576578676-Amino-5-{3-[(2,5-dimethyl-2H-pyrazole-3-carbonyl)-amino]-phenylethynyl}-nicotinic acid

Product 1

HCID 24956709Methyl 3-{4-[N-({6-amino-5-[(3-{[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)ethynyl]pyridin-3-yl}carbonyl)-S-methylsulfonimidoyl]phenyl}propanoate

Sources & evidence

ORD record
ord-c44592cc60f9400e9f970a32aaf6b956
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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