Formic Acid → 3-(4-Fluoro-phenyl)-3,4,9-triaza-tricyclo[5.3.1.02,6]undeca-2(6),4-diene
Reaction equation
[C:30](=[O:31])([OH:32])[O-:33].[CH2:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[N:12]1[CH2:13][CH:14]2[c:15]3[cH:16][n:17][n:18](-[c:23]4[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]4)[c:19]3[CH:20]([CH2:21]1)[CH2:22]2.[CH3:35][OH:36].[CH3:37][CH2:38][O:39][CH2:40][CH3:41].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH:2]([OH:3])=[O:4].[ClH:1].[Na+:34]>>[NH:12]1[CH2:13][CH:14]2[c:15]3[cH:16][n:17][n:18](-[c:23]4[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]4)[c:19]3[CH:20]([CH2:21]1)[CH2:22]2Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-ba1dc758b5c1463ba0859f0cc6ad95ea
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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