Ammonium → Ethyl 2-[4-[[3-(1-methylcyclopropyl)-5-(trifluoromethyl)phenyl]sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetate

HRID 211348Notes

Reaction equation

HRID 211348 reaction equation
[CH2:9]([CH3:10])[O:11][C:12]([CH2:13][n:14]1[n:15][cH:16][c:17]2[c:22]1[CH2:21][CH2:20][CH2:19][CH:18]2[NH:23][S:24](=[O:25])(=[O:26])[c:27]1[cH:28][c:29]([C:37](=[CH2:38])[CH3:39])[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]1)=[O:40].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH3:4][CH2:5][Zn:6][CH2:7][CH3:8].[Cl-:41].[I:1][CH2:2][I:3].[NH4+:42]>>[CH3:4][C:37]1([c:29]2[cH:28][c:27]([S:24]([NH:23][CH:18]3[c:17]4[cH:16][n:15][n:14]([CH2:13][C:12]([O:11][CH2:9][CH3:10])=[O:40])[c:22]4[CH2:21][CH2:20][CH2:19]3)(=[O:25])=[O:26])[cH:32][c:31]([C:33]([F:34])([F:35])[F:36])[cH:30]2)[CH2:38][CH2:39]1

Participants

7

Reactant 6

HCID 223AmmoniumHCID 312ChlorideHCID 1140TolueneHCID 6346DiiodomethaneHCID 66772609Ethyl 2-[4-[[3-prop-1-en-2-yl-5-(trifluoromethyl)phenyl]sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetateHCID 178418750HCID 178418750, compound

Product 1

HCID 66772317Ethyl 2-[4-[[3-(1-methylcyclopropyl)-5-(trifluoromethyl)phenyl]sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetate

Sources & evidence

ORD record
ord-9a1c1a128cd44f5fb0ea566470caa6f7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…