Ethyl Acetate → HCID 67140520, compound
Reaction equation
[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][c:6]([C:38]#[N:39])[cH:7][c:8]2[n:9][c:10](-[c:13]3[cH:14][cH:15][c:16]([C:19]#[C:20][CH2:21][CH:22]4[CH2:23][CH2:24][N:25]([c:28]5[n:29][cH:30][c:31]([C:34]([F:35])([F:36])[F:37])[cH:32][cH:33]5)[CH2:26][CH2:27]4)[cH:17][cH:18]3)[o:11][c:12]12>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][c:6]([C:38]#[N:39])[cH:7][c:8]2[n:9][c:10](-[c:13]3[cH:14][cH:15][c:16]([CH2:19][CH2:20][CH2:21][CH:22]4[CH2:23][CH2:24][N:25]([c:28]5[n:29][cH:30][c:31]([C:34]([F:35])([F:36])[F:37])[cH:32][cH:33]5)[CH2:26][CH2:27]4)[cH:17][cH:18]3)[o:11][c:12]12Participants
3
Sources & evidence
- ORD record
- ord-8b76c268e55f4e8ab630b4ebb79c1219
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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