Trifluoroacetic acid → 4-[2-(4-Aminopiperidin-1-yl)ethyl]-6-chloro-1,2,4-benzotriazin-3(4H)-one 1-oxide

HRID 688333Notes

Reaction equation

HRID 688333 reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:7]([CH2:13][CH2:14][N:15]3[CH2:16][CH2:17][CH:18]([NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:19][CH2:20]3)[c:8](=[O:12])[n:9][n+:10]2[O-:11])[cH:29]1.[F:30][C:31]([F:32])([F:33])[C:34]([OH:35])=[O:36].[NH2:37][CH:38]1[CH2:39][CH2:40][N:41]([CH2:42][CH2:43][n:44]2[c:45]3[c:46]([cH:47][c:48]([C:49]#[N:50])[cH:51][cH:52]3)[n:53][cH:54][c:55]2=[O:56])[CH2:57][CH2:58]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:7]([CH2:13][CH2:14][N:15]3[CH2:16][CH2:17][CH:18]([NH2:21])[CH2:19][CH2:20]3)[c:8](=[O:12])[n:9][n+:10]2[O-:11])[cH:29]1

Participants

4

Reactant 3

HCID 6422Trifluoroacetic acidHCID 667741351-[2-(4-Aminopiperidin-1-yl)ethyl]-2-oxo-1,2-dihydroquinoxaline-6-carbonitrileHCID 86642661tert-Butyl {1-[2-(6-chloro-1-oxido-3-oxo-1,2,4-benzotriazin-4(3H)-yl)ethyl]piperidin-4-yl}carbamate

Product 1

HCID 866426604-[2-(4-Aminopiperidin-1-yl)ethyl]-6-chloro-1,2,4-benzotriazin-3(4H)-one 1-oxide

Sources & evidence

ORD record
ord-f931510b8e4640259903f26af8ea6789
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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