Methanol → HCID 87394094, compound
Reaction equation
[CH3:1][O:2][C:3]([CH2:4][C:5]([CH2:6][CH2:7][N:8]1[c:9]2[c:10]([cH:37][c:38]([CH3:46])[c:39]([C:42]([F:43])([F:44])[F:45])[c:40]2[CH3:41])[CH:11]([N:15]([c:16]2[n:17][n:18][n:19]([CH3:21])[n:20]2)[CH2:22][c:23]2[cH:24][c:25]([C:33]([F:34])([F:35])[F:36])[cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]2)[CH2:12][CH2:13][CH2:14]1)([CH3:47])[CH3:48])=[O:49].[CH3:52][OH:53].[Na+:51].[OH-:50]>>[O:2]=[C:3]([CH2:4][C:5]([CH2:6][CH2:7][N:8]1[c:9]2[c:10]([cH:37][c:38]([CH3:46])[c:39]([C:42]([F:43])([F:44])[F:45])[c:40]2[CH3:41])[CH:11]([N:15]([c:16]2[n:17][n:18][n:19]([CH3:21])[n:20]2)[CH2:22][c:23]2[cH:24][c:25]([C:33]([F:34])([F:35])[F:36])[cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]2)[CH2:12][CH2:13][CH2:14]1)([CH3:47])[CH3:48])[OH:49]Participants
5
Sources & evidence
- ORD record
- ord-a6223c7ad9a54777ae096b81d26d1d19
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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