Methanol → HCID 91209449, compound
Reaction equation
[CH3:49][OH:50].[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([c:17]2[cH:18][n:19][c:20]([C:30]#[C:31][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[cH:21][c:22]2-[c:23]2[c:24]([CH3:29])[cH:25][cH:26][cH:27][cH:28]2)[CH3:38])([CH3:39])[CH3:40])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:41])[F:42].[H:47][H:48].[NH2:43][CH2:44][CH2:45][NH2:46]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([c:17]2[cH:18][n:19][c:20]([CH:30]=[CH:31][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[cH:21][c:22]2-[c:23]2[c:24]([CH3:29])[cH:25][cH:26][cH:27][cH:28]2)[CH3:38])([CH3:39])[CH3:40])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:41])[F:42]Participants
5
Sources & evidence
- ORD record
- ord-badd73d7766a49bb98b8c98740c89e1d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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