Methanol → HCID 58397852, compound
Reaction equation
[CH3:32][O-:33].[CH3:35][OH:36].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([N:8]2[CH2:9][CH2:10][CH:11]([NH:14][c:15]3[n:16][n:17]4[c:18]([c:19](-[c:23]5[cH:24][c:25]([F:30])[c:26]([F:29])[cH:27][cH:28]5)[cH:20][cH:21][cH:22]4)[n:31]3)[CH2:12][CH2:13]2)[n:7]1.[Na+:34]>>[c:2]1([O:33][CH3:32])[n:3][cH:4][cH:5][c:6]([N:8]2[CH2:9][CH2:10][CH:11]([NH:14][c:15]3[n:16][n:17]4[c:18]([c:19](-[c:23]5[cH:24][c:25]([F:30])[c:26]([F:29])[cH:27][cH:28]5)[cH:20][cH:21][cH:22]4)[n:31]3)[CH2:12][CH2:13]2)[n:7]1Participants
5
Sources & evidence
- ORD record
- ord-6443866831dc468fbc5f8e8bc9d82d52
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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