Methanol → HCID 24988246, compound
Reaction equation
[CH3:37][OH:38].[OH:26][O:27][C:28]([c:29]1[cH:30][c:31]([Cl:32])[cH:33][cH:34][cH:35]1)=[O:36].[nH:1]1[cH:2][cH:3][c:4]2[cH:5][c:6](-[c:10]3[cH:11][n:12][c:13]([O:15][CH:16]4[CH:17]5[CH2:18][N:19]6[CH2:20][CH:21]([CH2:22][CH:23]4[CH2:24]6)[CH2:25]5)[s:14]3)[cH:7][cH:8][c:9]12>>[nH:1]1[cH:2][cH:3][c:4]2[cH:5][c:6](-[c:10]3[cH:11][n:12][c:13]([O:15][CH:16]4[CH:17]5[CH2:18][N+:19]6([O-:26])[CH2:20][CH:21]([CH2:22][CH:23]4[CH2:24]6)[CH2:25]5)[s:14]3)[cH:7][cH:8][c:9]12Participants
4
Sources & evidence
- ORD record
- ord-b8bdd595eec4470cba9280fa02f8604a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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