N-(3-ethynylphenyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide → methyl{3-[N-({5-[(3-{[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)ethynyl]pyridin-3-yl}carbonyl)-S-methylsulfonimidoyl]phenyl}acetate

HRID 106394

Reaction equation

HRID 106394 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:8](=[O:9])[N:10]=[S:11](=[O:12])([CH3:13])[c:14]2[cH:15][c:16]([CH2:20][C:21](=[O:22])[O:23][CH3:24])[cH:17][cH:18][cH:19]2)[cH:5][n:6][cH:7]1.[C:25](#[CH:26])[c:27]1[cH:28][c:29]([NH:33][C:34](=[O:35])[c:36]2[cH:37][c:38]([CH3:42])[n:39][n:40]2[CH3:41])[cH:30][cH:31][cH:32]1>>[c:2]1([C:26]#[C:25][c:27]2[cH:28][c:29]([NH:33][C:34](=[O:35])[c:36]3[cH:37][c:38]([CH3:42])[n:39][n:40]3[CH3:41])[cH:30][cH:31][cH:32]2)[cH:3][c:4]([C:8](=[O:9])[N:10]=[S:11](=[O:12])([CH3:13])[c:14]2[cH:15][c:16]([CH2:20][C:21](=[O:22])[O:23][CH3:24])[cH:17][cH:18][cH:19]2)[cH:5][n:6][cH:7]1

Participants

3

Reactant 2

HCID 57657904N-(3-ethynylphenyl)-1,3-dimethyl-1H-pyrazole-5-carboxamideHCID 57657931Methyl (3-{N-[(5-bromopyridin-3-yl)carbonyl]-S-methylsulfonimidoyl}phenyl)acetate

Product 1

HCID 57657926methyl{3-[N-({5-[(3-{[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl)ethynyl]pyridin-3-yl}carbonyl)-S-methylsulfonimidoyl]phenyl}acetate

Sources & evidence

ORD record
ord-9324ab41f8ec4b10b96888f9a9b119de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

Loading…