Ethyl Acetate → HCID 178446333, compound
Reaction equation
[CH3:1][C:2]1([CH3:44])[O:3][CH2:4][CH:5]([CH2:7][CH2:8][NH:9][C:10](=[O:11])[CH:12]2[NH:13][CH:14]([CH2:35][C:36]([CH2:37][CH2:38][N:39]=[N+:40]=[N-:41])([CH3:42])[CH3:43])[C:15]([C:25]#[N:26])([c:27]3[c:28]([F:34])[cH:29][c:30]([Cl:33])[cH:31][cH:32]3)[CH:16]2[c:17]2[c:18]([F:24])[c:19]([Cl:23])[cH:20][cH:21][cH:22]2)[O:6]1.[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50]>>[CH3:1][C:2]1([CH3:44])[O:3][CH2:4][CH:5]([CH2:7][CH2:8][NH:9][C:10](=[O:11])[CH:12]2[NH:13][CH:14]([CH2:35][C:36]([CH2:37][CH2:38][NH2:39])([CH3:42])[CH3:43])[C:15]([C:25]#[N:26])([c:27]3[c:28]([F:34])[cH:29][c:30]([Cl:33])[cH:31][cH:32]3)[CH:16]2[c:17]2[c:18]([F:24])[c:19]([Cl:23])[cH:20][cH:21][cH:22]2)[O:6]1Participants
3
Sources & evidence
- ORD record
- ord-1a95d44e6f03456aaa290242dcdd58e9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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