1-Chloro-2-ethynylbenzene → HCID 69592859, 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].[Cl:19][c:20]1[c:21]([C:26]#[CH:27])[cH:22][cH:23][cH:24][cH:25]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:27]#[C:26][c:21]2[c:20]([Cl:19])[cH:25][cH:24][cH:23][cH:22]2)[cH:12][cH:13]1)=[O:18]Participants
3
Sources & evidence
- ORD record
- ord-4941cb4e2d264ccd9fcd218cfd3388d6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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