Heptane → 1-Hept-1-ynyl-4-trifluoromethoxy-benzene
Reaction equation
[CH3:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36].[CH:23]#[C:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29].[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([O:10][S:11]([c:12]2[cH:13][cH:14][c:15]([CH3:16])[cH:17][cH:18]2)(=[O:19])=[O:20])[cH:8][cH:9]1)([F:21])[F:22]>>[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([C:23]#[C:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])[cH:8][cH:9]1)([F:21])[F:22]Participants
4
Sources & evidence
- ORD record
- ord-63cf8ed557944713863c5cc2a4895262
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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