Toluene → HCID 54068872, compound
Reaction equation
[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[CH3:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[CH3:6][CH2:7][CH2:8][CH2:9][Li:10].[CH:1]1([C:4]#[CH:5])[CH2:2][CH2:3]1.[NH2:11][c:12]1[c:13]([C:20]([C:21]([F:22])([F:23])[F:24])=[O:25])[cH:14][c:15]([Cl:19])[cH:16][c:17]1[F:18]>>[CH:1]1([C:4]#[C:5][C:20]([c:13]2[c:12]([NH2:11])[c:17]([F:18])[cH:16][c:15]([Cl:19])[cH:14]2)([C:21]([F:22])([F:23])[F:24])[OH:25])[CH2:2][CH2:3]1Participants
6
Sources & evidence
- ORD record
- ord-dd4d5fae848f4ab68b7df42c42e87d86
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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