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

HRID 87751Notes

Reaction equation

HRID 87751 reaction equation
[CH2:33]([CH3:34])[O:35][C:36](=[O:37])[CH:38]1[CH2:39][CH2:40][C:41](=[O:44])[CH2:42][CH2:43]1.[F:26][C:27]([F:28])([F:29])[C:30]([OH:31])=[O:32].[NH:1]1[CH2:2][CH:3]([NH:5][C:6]([CH2:7][NH:8][c:9]2[n:10][n:11]([CH3:24])[c:12]3[cH:13][cH:14][c:15]([CH:18]([C:19]([F:20])([F:21])[F:22])[OH:23])[cH:16][c:17]23)=[O:25])[CH2:4]1>>[N:1]1([CH:41]2[CH2:40][CH2:39][CH:38]([C:36]([O:35][CH2:33][CH3:34])=[O:37])[CH2:43][CH2:42]2)[CH2:2][CH:3]([NH:5][C:6]([CH2:7][NH:8][c:9]2[n:10][n:11]([CH3:24])[c:12]3[cH:13][cH:14][c:15]([CH:18]([C:19]([F:20])([F:21])[F:22])[OH:23])[cH:16][c:17]23)=[O:25])[CH2:4]1

Participants

4

Reactant 3

HCID 6422Trifluoroacetic acidHCID 317638Ethyl 4-oxocyclohexanecarboxylateHCID 58548811N-(azetidin-3-yl)-2-[[1-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)indazol-3-yl]amino]acetamide

Product 1

HCID 547553134-(3-{2-[1-Methyl-5-(2,2,2-trifluoro-1-hydroxy-ethyl)-1H-indazol-3-ylamino]-acetylamino}-azetidin-1-yl)-cyclohexanecarboxylic acid ethyl ester

Sources & evidence

ORD record
ord-4e4fc2c6ecde4957a000d43fb1efafbf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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