Trifluoroacetic acid → 4-{3-[2-(5-Trifluoromethoxy-benzo[d]isoxazol-3-ylamino)-acetylamino]-azetidin-1-yl}-cyclohexanecarboxylic acid ethyl ester

HRID 697415Notes

Reaction equation

HRID 697415 reaction equation
[CH2:31]([CH3:32])[O:33][C:34](=[O:35])[CH:36]1[CH2:37][CH2:38][C:39](=[O:42])[CH2:40][CH2:41]1.[F:24][C:25]([F:26])([F:27])[C:28]([OH:29])=[O:30].[NH:1]1[CH2:2][CH:3]([NH:5][C:6]([CH2:7][NH:8][c:9]2[n:10][o:11][c:12]3[c:13]2[cH:14][c:15]([O:18][C:19]([F:20])([F:21])[F:22])[cH:16][cH:17]3)=[O:23])[CH2:4]1>>[N:1]1([CH:39]2[CH2:38][CH2:37][CH:36]([C:34]([O:33][CH2:31][CH3:32])=[O:35])[CH2:41][CH2:40]2)[CH2:2][CH:3]([NH:5][C:6]([CH2:7][NH:8][c:9]2[n:10][o:11][c:12]3[c:13]2[cH:14][c:15]([O:18][C:19]([F:20])([F:21])[F:22])[cH:16][cH:17]3)=[O:23])[CH2:4]1

Participants

4

Reactant 3

HCID 6422Trifluoroacetic acidHCID 317638Ethyl 4-oxocyclohexanecarboxylateHCID 67478742N-(azetidin-3-yl)-2-[[5-(trifluoromethoxy)-1,2-benzoxazol-3-yl]amino]acetamide

Product 1

HCID 547562744-{3-[2-(5-Trifluoromethoxy-benzo[d]isoxazol-3-ylamino)-acetylamino]-azetidin-1-yl}-cyclohexanecarboxylic acid ethyl ester

Sources & evidence

ORD record
ord-2b40a785c24c4101b4da80f777025c99
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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