Ethyl Acetate → HCID 22346645, compound
Reaction equation
[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[c:1]1([CH:7]([CH3:8])[NH:9][c:10]2[n:11][cH:12][cH:13][c:14](-[c:16]3[c:17](-[c:39]4[cH:40][c:41]([C:45]([F:46])([F:47])[F:48])[cH:42][cH:43][cH:44]4)[c:18]4[n:19]([c:20]([N:22]5[CH:23]6[CH2:24][N:25]([C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH:26]([CH2:27]5)[CH2:28]6)[n:21]3)[cH:36][n:37][n:38]4)[cH:15]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([CH3:8])[NH:9][c:10]2[n:11][cH:12][cH:13][c:14](-[c:16]3[c:17](-[c:39]4[cH:40][c:41]([C:45]([F:46])([F:47])[F:48])[cH:42][cH:43][cH:44]4)[c:18]4[n:19]([c:20]([N:22]5[CH:23]6[CH2:24][NH:25][CH:26]([CH2:27]5)[CH2:28]6)[n:21]3)[cH:36][n:37][n:38]4)[cH:15]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
3
Sources & evidence
- ORD record
- ord-aa941f2186ef4402a09f0c22bf5c66f7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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