Trifluoroacetic acid → 4-[2-(4-Aminopiperidin-1-yl)ethyl]-6-chloro-1,2,4-benzotriazin-3(4H)-one 1-oxide
Reaction equation
[C:1]([N:5]([C:2](=[O:3])[O-:4])[CH:9]1[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][n:17]2[c:18](=[O:29])[n:19][n+:20]([O-:28])[c:21]3[c:22]2[cH:23][c:24]([Cl:27])[cH:25][cH:26]3)[CH2:13][CH2:14]1)([CH3:6])([CH3:7])[CH3:8].[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>>[NH2:5][CH:9]1[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][n:17]2[c:18](=[O:29])[n:19][n+:20]([O-:28])[c:21]3[c:22]2[cH:23][c:24]([Cl:27])[cH:25][cH:26]3)[CH2:13][CH2:14]1Participants
4
Sources & evidence
- ORD record
- ord-3e6e45f43964441f9e71dbfee3382f08
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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