Benzene → HCID 13385963, compound
Reaction equation
[CH2:12]([C:13]#[CH:14])[OH:15].[CH2:24]([N+:25]([CH2:26][CH3:27])([CH2:28][CH3:29])[CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[CH3:37].[CH3:1][S:2][c:3]1[n:4][cH:5][cH:6][c:7]([Cl:9])[n:8]1.[Cl-:23].[Na+:11].[OH-:10].[OH2:16].[cH:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1>>[CH3:1][S:2][c:3]1[n:4][cH:5][cH:6][c:7]([O:15][CH2:12][C:13]#[CH:14])[n:8]1Participants
9
Sources & evidence
- ORD record
- ord-0ae205242e2644dfa6fdc9dcd6fb589c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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