p-Ethynyltoluene → HCID 69592839, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([N+:15](=[O:16])[O-:17])[cH:10][c:11]([I:14])[cH:12][cH:13]1)=[O:18].[c:19]1([CH3:27])[cH:20][cH:21][c:22]([C:25]#[CH:26])[cH:23][cH:24]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([N+:15](=[O:16])[O-:17])[cH:10][c:11]([C:26]#[C:25][c:22]2[cH:21][cH:20][c:19]([CH3:27])[cH:24][cH:23]2)[cH:12][cH:13]1)=[O:18]Participants
3
Sources & evidence
- ORD record
- ord-0a0d5134b036425abdf08f350f9aff8a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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