Carbonate Ion → 4-tert-butyl-N-(4-chloro-2-[1,2,3]triazolo[4,5-b]pyridine-1-yl-phenyl)-benzenesulfonamide

HRID 180411Notes

Reaction equation

HRID 180411 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[c:16]([I:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:9][cH:10]1.[C:32](=[O:33])([O-:34])[O-:35].[CH3:38][NH:39][CH:40]1[CH2:41][CH2:42][CH2:43][CH2:44][CH:45]1[NH:46][CH3:47].[Cs+:36].[Cs+:37].[Cu:48][I:49].[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[nH:23]1[n:24][n:25][c:26]2[c:27]1[cH:28][cH:29][cH:30][n:31]2>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[c:16](-[n:23]3[n:24][n:25][c:26]4[c:27]3[cH:28][cH:29][cH:30][n:31]4)[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:9][cH:10]1

Participants

8

Reactant 7

HCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 5510741-N,2-N-dimethylcyclohexane-1,2-diamineHCID 594281524-tert-butyl-N-(4-chloro-2-iodo-phenyl)-benzenesulfonamideHCID 178420751HCID 178420751, compound

Product 1

HCID 251349214-tert-butyl-N-(4-chloro-2-[1,2,3]triazolo[4,5-b]pyridine-1-yl-phenyl)-benzenesulfonamide

Sources & evidence

ORD record
ord-0f6490f0c9b8455683bbaf12c88927fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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