Benzene → HCID 15335029, compound
Reaction equation
[C:15]([C:16]#[CH:17])(=[O:18])[OH:19].[OH2:37].[c:1]1([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][OH:14])[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:20]1([CH3:21])[cH:22][cH:23][c:24]([S:25]([OH:26])(=[O:27])=[O:28])[cH:29][cH:30]1.[cH:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[c:1]1([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][O:14][C:15]([C:16]#[CH:17])=[O:18])[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
6
Sources & evidence
- ORD record
- ord-1e1fb5d4bceb42b78d91479d1117c8df
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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