Water → [2-(4-Chloro-phenyl)-2,4,5,6-tetrahydro-cyclopentapyrazol-3-yl]-cyclohexyl-acetic acid pentafluorophenyl ester

HRID 178435Notes

Reaction equation

HRID 178435 reaction equation
[C:51]([O:52][CH3:53])([CH3:54])([CH3:55])[CH3:56].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]3[c:11]([c:12]2[CH:13]([C:14](=[O:15])[OH:16])[CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[CH2:23][CH2:24][CH2:25]3)[cH:6][cH:7]1.[F:32][C:33]([F:34])([F:35])[C:36]([O:48][c:37]1[c:38]([F:47])[c:39]([F:46])[c:40]([F:45])[c:41]([F:44])[c:42]1[F:43])=[O:49].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH2:50].[cH:26]1[cH:27][cH:28][n:29][cH:30][cH:31]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]3[c:11]([c:12]2[CH:13]([C:14]([O:15][c:37]2[c:38]([F:47])[c:39]([F:46])[c:40]([F:45])[c:41]([F:44])[c:42]2[F:43])=[O:16])[CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[CH2:23][CH2:24][CH2:25]3)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 962WaterHCID 1049PyridineHCID 6228DimethylformamideHCID 15413tert-Butyl methyl etherHCID 4327891Pentafluorophenyl TrifluoroacetateHCID 67387271[2-(4-Chloro-phenyl)-2,4,5,6-tetrahydro-cyclopentapyrazol-3-yl]-cyclohexyl-acetic acid

Product 1

HCID 86657983[2-(4-Chloro-phenyl)-2,4,5,6-tetrahydro-cyclopentapyrazol-3-yl]-cyclohexyl-acetic acid pentafluorophenyl ester

Sources & evidence

ORD record
ord-838facde12e74fe39cd6561a8c646c26
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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