proline dl-form → Ethyl 2-[4-[[3-methylsulfonyl-5-(trifluoromethyl)phenyl]sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetate

HRID 291854Notes

Reaction equation

HRID 291854 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][n:6]1[n:7][cH:8][c:9]2[c:14]1[CH2:13][CH2:12][CH2:11][CH:10]2[NH:15][S:16](=[O:17])(=[O:18])[c:19]1[cH:20][c:21]([Br:29])[cH:22][c:23]([C:25]([F:26])([F:27])[F:28])[cH:24]1)=[O:30].[CH3:32][S:33](=[O:34])[OH:35].[CH3:45][S:46](=[O:47])[CH3:48].[Cu:50][I:51].[NH:37]1[CH2:38][CH2:39][CH2:40][CH:41]1[C:42]([OH:43])=[O:44].[Na:31].[Na:36].[OH2:49]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][n:6]1[n:7][cH:8][c:9]2[c:14]1[CH2:13][CH2:12][CH2:11][CH:10]2[NH:15][S:16](=[O:17])(=[O:18])[c:19]1[cH:20][c:21]([S:33]([CH3:32])(=[O:34])=[O:35])[cH:22][c:23]([C:25]([F:26])([F:27])[F:28])[cH:24]1)=[O:30]

Participants

8

Reactant 7

HCID 614proline dl-formHCID 679Dimethyl SulfoxideHCID 962WaterHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 87251Methanesulfinic acidHCID 5360545Sodium2×HCID 44611232HCID 44611232, compound

Product 1

HCID 66773242Ethyl 2-[4-[[3-methylsulfonyl-5-(trifluoromethyl)phenyl]sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetate

Sources & evidence

ORD record
ord-41a0e51920fe4e4ca4f75f0b71510760
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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