Acetate → N-(2-chloro-5-{3-[3-(dimethylamino)-1-piperidinyl]-6-quinoxalinyl}-3-pyridinyl)benzenesulfonamide

HRID 673129Notes

Reaction equation

HRID 673129 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[n:6][cH:7][c:8]([N:12]3[CH2:13][CH:14]([N:18]([CH3:19])[CH3:20])[CH2:15][CH2:16][CH2:17]3)[n:9][c:10]2[cH:11]1.[Br:26][c:27]1[cH:28][c:29]([NH:34][S:35](=[O:36])(=[O:37])[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:30]([Cl:33])[n:31][cH:32]1.[C:44](=[O:45])([O-:46])[O-:47].[CH2:50]1[O:51][CH2:52][CH2:53][O:54][CH2:55]1.[CH3:22][C:23](=[O:24])[O-:25].[K+:21].[K+:48].[K+:49]>>[c:2]1(-[c:27]2[cH:28][c:29]([NH:34][S:35](=[O:36])(=[O:37])[c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[c:30]([Cl:33])[n:31][cH:32]2)[cH:3][cH:4][c:5]2[n:6][cH:7][c:8]([N:12]3[CH2:13][CH:14]([N:18]([CH3:19])[CH3:20])[CH2:15][CH2:16][CH2:17]3)[n:9][c:10]2[cH:11]1

Participants

7

Reactant 6

HCID 175AcetateHCID 813Potassium Cation3×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 57843322N-(5-Bromo-2-chloropyridin-3-yl)benzenesulfonamideHCID 685062171-(7-bromo-2-quinoxalinyl)-N,N-dimethyl-3-piperidinamine

Product 1

HCID 57843447N-(2-chloro-5-{3-[3-(dimethylamino)-1-piperidinyl]-6-quinoxalinyl}-3-pyridinyl)benzenesulfonamide

Sources & evidence

ORD record
ord-685c2482b9824d53b3ea878f41949a5a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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