Ethyl Acetate → HCID 76044421, compound
Reaction equation
[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[F:1][c:2]1[c:3](-[c:9]2[n:10][n:11]([CH2:44][c:45]3[cH:46][c:47]([F:51])[cH:48][cH:49][cH:50]3)[c:12]([CH:14]([C:15]([CH3:16])([CH3:17])[CH3:18])[N:19]([C:20](=[O:21])[CH:22]3[O:23][CH2:24][CH2:25][CH2:26]3)[CH2:27][CH:28]3[CH2:29][N:30]([C:34]([O:35][CH2:36][c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)=[O:43])[CH2:31][CH:32]3[F:33])[n:13]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1>>[F:1][c:2]1[c:3](-[c:9]2[n:10][n:11]([CH2:44][c:45]3[cH:46][c:47]([F:51])[cH:48][cH:49][cH:50]3)[c:12]([CH:14]([C:15]([CH3:16])([CH3:17])[CH3:18])[N:19]([C:20](=[O:21])[CH:22]3[O:23][CH2:24][CH2:25][CH2:26]3)[CH2:27][CH:28]3[CH2:29][NH:30][CH2:31][CH:32]3[F:33])[n:13]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1Participants
3
Sources & evidence
- ORD record
- ord-2958bd886bb1475dbfb923edb0c6d900
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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