Benzene → HCID 54454176, compound
Reaction equation
[CH2:15]=[CH:16][C:17]#[N:18].[CH2:20]([N+:21]([CH3:22])([CH3:23])[CH3:24])[c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[CH3:1][c:2]1[cH:3][c:4]2[c:5]3[cH:6][cH:7][cH:8][cH:9][c:10]3[nH:11][c:12]2[cH:13][cH:14]1.[OH-:19].[cH:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[CH3:1][c:2]1[cH:3][c:4]2[c:5]3[cH:6][cH:7][cH:8][cH:9][c:10]3[n:11]([CH2:15][CH2:16][C:17]#[N:18])[c:12]2[cH:13][cH:14]1Participants
6
Sources & evidence
- ORD record
- ord-2dd7bc7954af4b8bbfe85c9d5412001b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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