Methanol → HCID 178432986, compound
Reaction equation
[CH2:64]1[O:65][CH2:66][CH2:67][CH2:68]1.[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[c:13]([CH3:19])[c:14]([CH3:18])[n:15][cH:16][cH:17]2)[cH:10][cH:11]1)[NH:20][C:21](=[O:22])[CH:23]1[N:24]([C:50](=[O:51])[c:52]2[n:53][c:54]([CH3:58])[o:55][c:56]2[CH3:57])[CH2:25][c:26]2[cH:27][c:28]3[c:29]([cH:30][c:31]2[CH2:32]1)[O:33][CH2:34][CH:35]([c:37]1[cH:38][cH:39][c:40](-[c:43]2[cH:44][c:45]([Cl:49])[cH:46][cH:47][cH:48]2)[cH:41][cH:42]1)[O:36]3)=[O:59].[CH3:60][OH:61].[Li+:63].[OH-:62]>>[O:2]=[C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[c:13]([CH3:19])[c:14]([CH3:18])[n:15][cH:16][cH:17]2)[cH:10][cH:11]1)[NH:20][C:21](=[O:22])[CH:23]1[N:24]([C:50](=[O:51])[c:52]2[n:53][c:54]([CH3:58])[o:55][c:56]2[CH3:57])[CH2:25][c:26]2[cH:27][c:28]3[c:29]([cH:30][c:31]2[CH2:32]1)[O:33][CH2:34][CH:35]([c:37]1[cH:38][cH:39][c:40](-[c:43]2[cH:44][c:45]([Cl:49])[cH:46][cH:47][cH:48]2)[cH:41][cH:42]1)[O:36]3)[OH:59]Participants
6
Sources & evidence
- ORD record
- ord-be0318d5125f41f5a1578443a2538366
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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