Toluene → HCID 178494430, compound
Reaction equation
[CH3:1][O:2][C:3]1([OH:4])[CH:5]([OH:6])[CH2:7][CH:8]([CH:10]([OH:11])[C:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[O:9]1.[CH3:31][O:32][CH2:33][CH2:34][N:35]([S:36]([F:37])([F:38])[F:41])[CH2:39][CH2:40][O:42][CH3:43].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[CH3:1][O:2][C:3]1([OH:4])[C:5]([OH:6])([F:41])[CH2:7][CH:8]([CH:10]([OH:11])[C:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[O:9]1Participants
4
Sources & evidence
- ORD record
- ord-cb04e07bd0c14907bd3764c32fcec8f8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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