Phenylacetylene → HCID 70002822, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([N+:29](=[O:30])[O-:31])[cH:10][c:11]([I:28])[c:12]([O:14][CH2:15][CH2:16][O:17][CH2:18][CH2:19][O:20][CH2:21][CH2:22][O:23][CH2:24][CH2:25][O:26][CH3:27])[cH:13]1)=[O:32].[c:33]1([C:39]#[CH:40])[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([N+:29](=[O:30])[O-:31])[cH:10][c:11]([C:40]#[C:39][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:12]([O:14][CH2:15][CH2:16][O:17][CH2:18][CH2:19][O:20][CH2:21][CH2:22][O:23][CH2:24][CH2:25][O:26][CH3:27])[cH:13]1)=[O:32]Participants
3
Sources & evidence
- ORD record
- ord-c0e56c0f1f954b7e95a53dec5a9013de
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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