Benzene → HCID 21866673, compound
Reaction equation
[CH3:5][C:6]([C:7]([NH:9][OH:8])=[O:10])([CH3:11])[O:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][c:19]1[n:20][c:21](-[c:25]2[cH:26][cH:27][c:28]([CH3:31])[cH:29][cH:30]2)[o:22][c:23]1[CH3:24].[Na+:33].[OH2:32].[OH:34][C:35](=[O:36])[O-:37].[P:1]([Br:2])([Br:3])[Br:4].[cH:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[CH3:5][C:6]([C:7]#[N:9])([CH3:11])[O:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][c:19]1[n:20][c:21](-[c:25]2[cH:26][cH:27][c:28]([CH3:31])[cH:29][cH:30]2)[o:22][c:23]1[CH3:24]Participants
7
Sources & evidence
- ORD record
- ord-4fb51b207eca4c3b9e5351ad0f02e642
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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