Diethyl Ether → HCID 57929906, compound
Reaction equation
[CH3:46][CH2:47][O:48][CH2:49][CH3:50].[Cl:51][CH2:52][Cl:53].[F:1][c:2]1[c:3](-[c:9]2[n:10][c:11]([CH:26]3[CH2:27][CH2:28][N:29]([C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[CH2:30][CH2:31]3)[s:12][c:13]2-[c:14]2[cH:15][cH:16][c:17]3[n:18]([n:19]2)[c:20]([CH:23]([CH3:24])[CH3:25])[n:21][n:22]3)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[F:39][C:40]([F:41])([F:42])[C:43]([OH:44])=[O:45]>>[F:1][c:2]1[c:3](-[c:9]2[n:10][c:11]([CH:26]3[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]3)[s:12][c:13]2-[c:14]2[cH:15][cH:16][c:17]3[n:18]([n:19]2)[c:20]([CH:23]([CH3:24])[CH3:25])[n:21][n:22]3)[cH:4][cH:5][c:6]([F:8])[cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-b1f9536f92f34cfd847fbd3a81f4bab9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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