Trifluoroacetic acid → 4-{3-[2-(1-Ethyl-5-trifluoromethyl-1H-indazol-3-ylamino)-acetylamino]-azetidin-1-yl}-cyclohexanecarboxylic acid ethyl ester

HRID 200432Notes

Reaction equation

HRID 200432 reaction equation
[CH2:32]([CH3:33])[O:34][C:35](=[O:36])[CH:37]1[CH2:38][CH2:39][C:40](=[O:43])[CH2:41][CH2:42]1.[F:25][C:26]([F:27])([F:28])[C:29]([OH:30])=[O:31].[NH:1]1[CH2:2][CH:3]([NH:5][C:6]([CH2:7][NH:8][c:9]2[n:10][n:11]([CH2:22][CH3:23])[c:12]3[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][c:17]23)=[O:24])[CH2:4]1>>[N:1]1([CH:40]2[CH2:39][CH2:38][CH:37]([C:35]([O:34][CH2:32][CH3:33])=[O:36])[CH2:42][CH2:41]2)[CH2:2][CH:3]([NH:5][C:6]([CH2:7][NH:8][c:9]2[n:10][n:11]([CH2:22][CH3:23])[c:12]3[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][c:17]23)=[O:24])[CH2:4]1

Participants

4

Reactant 3

HCID 6422Trifluoroacetic acidHCID 317638Ethyl 4-oxocyclohexanecarboxylateHCID 58548821N-(azetidin-3-yl)-2-[[1-ethyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide

Product 1

HCID 547555604-{3-[2-(1-Ethyl-5-trifluoromethyl-1H-indazol-3-ylamino)-acetylamino]-azetidin-1-yl}-cyclohexanecarboxylic acid ethyl ester

Sources & evidence

ORD record
ord-7d0da2aace054d3d829e5979a7fdeedf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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