Water → 3-(4-Fluoro-phenyl)-2-isopropyl-7,8-dihydro-2H-1,2,6-triaza-azulene-6-carboxylic acid benzyl ester
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][CH2:11][CH2:12][c:13]1[n:14][n:15]([CH:31]([CH3:32])[CH3:33])[c:16](-[c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]2)[c:17]1[CH2:18][CH:19]1[O:20][CH2:21][CH2:22][O:23]1)=[O:34].[F:35][C:36]([F:37])([F:38])[C:39]([OH:40])=[O:41].[OH2:42]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([N:10]1[CH2:11][CH2:12][c:13]2[n:14][n:15]([CH:31]([CH3:32])[CH3:33])[c:16](-[c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[c:17]2[CH:18]=[CH:19]1)=[O:34]Participants
4
Sources & evidence
- ORD record
- ord-e492d77f0f7e4004a2178e3a2d309bd0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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