Methanol → HCID 72243911, compound
Reaction equation
[CH3:1][O:2][C:3]([c:4]1[c:5]([CH3:41])[cH:6][c:7]([NH:10][C:11](=[O:12])[CH:13]2[NH:14][CH:15]([CH2:36][C:37]([CH3:38])([CH3:39])[CH3:40])[C:16]([C:26]#[N:27])([c:28]3[c:29]([F:35])[cH:30][c:31]([Cl:34])[cH:32][cH:33]3)[CH:17]2[c:18]2[c:19]([F:25])[c:20]([Cl:24])[cH:21][cH:22][cH:23]2)[cH:8][cH:9]1)=[O:42].[CH3:45][OH:46].[Na+:44].[OH-:43]>>[O:2]=[C:3]([c:4]1[c:5]([CH3:41])[cH:6][c:7]([NH:10][C:11](=[O:12])[CH:13]2[NH:14][CH:15]([CH2:36][C:37]([CH3:38])([CH3:39])[CH3:40])[C:16]([C:26]#[N:27])([c:28]3[c:29]([F:35])[cH:30][c:31]([Cl:34])[cH:32][cH:33]3)[CH:17]2[c:18]2[c:19]([F:25])[c:20]([Cl:24])[cH:21][cH:22][cH:23]2)[cH:8][cH:9]1)[OH:42]Participants
5
Sources & evidence
- ORD record
- ord-870a7d1b40614c1685ca4d0f20287c61
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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