Ethyl Acetate → HCID 22479794, compound
Reaction equation
[CH3:26][CH2:27][O:28][C:29](=[O:30])[CH3:31].[c:1]1([CH:7]=[CH:8][c:9]2[n:10][n:11]([CH:20]3[O:21][CH2:22][CH2:23][CH2:24][CH2:25]3)[c:12]3[cH:13][cH:14][c:15]([C:18]#[N:19])[cH:16][c:17]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][CH2:8][c:9]2[n:10][n:11]([CH:20]3[O:21][CH2:22][CH2:23][CH2:24][CH2:25]3)[c:12]3[cH:13][cH:14][c:15]([C:18]#[N:19])[cH:16][c:17]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
3
Sources & evidence
- ORD record
- ord-82ab1c20eb23412fb469abe199a8a6a1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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