Heptane → HCID 54220645, compound
Reaction equation
[CH3:1][N:2]([CH3:3])[CH2:4][C:5]([C:6]#[N:7])=[CH2:8].[CH3:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30].[c:9]1([C:15](=[N+:16]=[N-:17])[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:10][cH:11][cH:12][cH:13][cH:14]1>>[CH3:1][N:2]([CH3:3])[CH2:4][C:5]1([C:6]#[N:7])[CH2:8][C:15]1([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1Participants
4
Sources & evidence
- ORD record
- ord-79ad20e421944d339a2bae7c1d7ec438
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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