Water → 4-tert-butyl-N-(5-chloro-2-pyrazolo[4,3-b]pyridin-1-yl-pyridin-3-yl)-benzenesulfonamide

HRID 2150574Notes

Reaction equation

HRID 2150574 reaction equation
[Br:1][c:2]1[n:3][cH:4][c:5]([Cl:22])[cH:6][c:7]1[NH:8][S:9](=[O:10])(=[O:11])[c:12]1[cH:13][cH:14][c:15]([C:18]([CH3:19])([CH3:20])[CH3:21])[cH:16][cH:17]1.[C:42](=[O:43])([O-:44])[O-:45].[CH3:32][NH:33][CH:34]1[CH2:35][CH2:36][CH2:37][CH2:38][CH:39]1[NH:40][CH3:41].[CH3:48][N:49]([CH3:50])[C:51](=[O:52])[CH3:53].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Cs+:46].[Cs+:47].[Cu:54]([I:55])[I:56].[OH2:57].[nH:23]1[n:24][cH:25][c:26]2[n:27][cH:28][cH:29][cH:30][c:31]12>>[c:2]1(-[n:23]2[n:24][cH:25][c:26]3[n:27][cH:28][cH:29][cH:30][c:31]23)[n:3][cH:4][c:5]([Cl:22])[cH:6][c:7]1[NH:8][S:9](=[O:10])(=[O:11])[c:12]1[cH:13][cH:14][c:15]([C:18]([CH3:19])([CH3:20])[CH3:21])[cH:16][cH:17]1

Participants

10

Reactant 9

HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 31374DimethylacetamideHCID 83717Copper iodideHCID 104967Cesium cation2×HCID 5510741-N,2-N-dimethylcyclohexane-1,2-diamineHCID 216436531H-Pyrazolo(4,3-b)pyridineHCID 57942597N-(2-bromo-5-chloro-pyridin-3-yl)-4-tert-butyl-benzenesulfonamide

Product 1

HCID 251344004-tert-butyl-N-(5-chloro-2-pyrazolo[4,3-b]pyridin-1-yl-pyridin-3-yl)-benzenesulfonamide

Sources & evidence

ORD record
ord-6f8a8c9315fa4e6286b521de48526b25
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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