Trifluoroacetic acid → HCID 54755562, compound

HRID 319942Notes

Reaction equation

HRID 319942 reaction equation
[CH2:35]([CH3:36])[O:37][C:38](=[O:39])[CH:40]1[CH2:41][CH2:42][C:43](=[O:46])[CH2:44][CH2:45]1.[F:28][C:29]([F:30])([F:31])[C:32]([OH:33])=[O:34].[NH:1]1[CH2:2][CH:3]([NH:5][C:6]([CH2:7][NH:8][c:9]2[n:10][n:11]([CH2:22][C:23]([F:24])([F:25])[F:26])[c:12]3[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][c:17]23)=[O:27])[CH2:4]1>>[N:1]1([CH:43]2[CH2:42][CH2:41][CH:40]([C:38]([O:37][CH2:35][CH3:36])=[O:39])[CH2:45][CH2:44]2)[CH2:2][CH:3]([NH:5][C:6]([CH2:7][NH:8][c:9]2[n:10][n:11]([CH2:22][C:23]([F:24])([F:25])[F:26])[c:12]3[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][c:17]23)=[O:27])[CH2:4]1

Participants

4

Reactant 3

HCID 6422Trifluoroacetic acidHCID 317638Ethyl 4-oxocyclohexanecarboxylateHCID 86660183N-(azetidin-3-yl)-2-[[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)indazol-3-yl]amino]acetamide

Product 1

HCID 54755562HCID 54755562, compound

Sources & evidence

ORD record
ord-0672e11e761d4dd8a566cefca4bcfcb6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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