Benzene → HCID 13385964, compound
Reaction equation
[CH2:15]([C:16]#[CH:17])[OH:18].[CH3:1][S:2][c:3]1[n:4][cH:5][c:6]([O:10][CH2:11][CH3:12])[c:7]([Cl:9])[n:8]1.[NH2-:14].[Na:13].[OH2:19].[cH:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1>>[CH3:1][S:2][c:3]1[n:4][cH:5][c:6]([O:10][CH2:11][CH3:12])[c:7]([O:18][CH2:15][C:16]#[CH:17])[n:8]1Participants
7
Sources & evidence
- ORD record
- ord-76c96de5b4ad4887aa9e190d5bc475a3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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