Trifluoroacetic acid → 4-(2-Propan-2-yl-1,2,4-triazol-3-yl)-9-oxa-3,6,13-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaen-12-amine

HRID 123483Notes

Reaction equation

HRID 123483 reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:34][NH:7][c:8]2[cH:9][c:10]3[c:11]([cH:28][n:29]2)-[c:12]2[n:13][c:14](-[c:20]4[n:21]([CH:25]([CH3:26])[CH3:27])[n:22][cH:23][n:24]4)[cH:15][n:16]2[CH2:17][CH2:18][O:19]3)[cH:6][cH:30][c:31]1[O:32][CH3:33].[F:35][C:36]([F:37])([F:38])[C:39]([OH:40])=[O:41]>>[NH2:7][c:8]1[cH:9][c:10]2[c:11]([cH:28][n:29]1)-[c:12]1[n:13][c:14](-[c:20]3[n:21]([CH:25]([CH3:26])[CH3:27])[n:22][cH:23][n:24]3)[cH:15][n:16]1[CH2:17][CH2:18][O:19]2

Participants

3

Reactant 2

HCID 6422Trifluoroacetic acidHCID 67050655HCID 67050655, compound

Product 1

HCID 582044054-(2-Propan-2-yl-1,2,4-triazol-3-yl)-9-oxa-3,6,13-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaen-12-amine

Sources & evidence

ORD record
ord-88a6d848065944769488c0e432c7064d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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