Ethyl Acetate → HCID 178510251, compound
Reaction equation
[CH3:32][CH2:33][O:34][C:35]([CH3:36])=[O:37].[N:1](=[N+:2]=[N-:3])[c:4]1[nH:5][c:6]([C:10](=[O:11])[NH:12][CH2:13][c:14]2[c:15]([F:31])[c:16]([O:21][c:22]3[cH:23][c:24]([Cl:30])[n:25][c:26]([C:28]#[N:29])[cH:27]3)[c:17]([Cl:20])[cH:18][cH:19]2)[c:7]([Cl:9])[n:8]1>>[NH2:1][c:4]1[nH:5][c:6]([C:10](=[O:11])[NH:12][CH2:13][c:14]2[c:15]([F:31])[c:16]([O:21][c:22]3[cH:23][c:24]([Cl:30])[n:25][c:26]([C:28]#[N:29])[cH:27]3)[c:17]([Cl:20])[cH:18][cH:19]2)[c:7]([Cl:9])[n:8]1Participants
3
Sources & evidence
- ORD record
- ord-c8125ba4c7aa4cac981638dfd29a94bc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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