Ethyl Acetate → HCID 59455766, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH:9]1[CH2:10][NH:11][CH2:12][CH2:13][CH:14]1[O:15][CH3:16])[C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23].[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:24][c:25]1[c:26]([N+:31](=[O:32])[O-:33])[cH:27][n:28][cH:29][cH:30]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH:9]1[CH2:10][N:11]([c:25]2[c:26]([N+:31](=[O:32])[O-:33])[cH:27][n:28][cH:29][cH:30]2)[CH2:12][CH2:13][CH:14]1[O:15][CH3:16])[C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23]Participants
5
Sources & evidence
- ORD record
- ord-33047af31fd141b58530beada3eed8e7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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