Methanol → HCID 178432987, compound
Reaction equation
[CH2:65]1[O:66][CH2:67][CH2:68][CH2:69]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:51](=[O:52])[c:53]2[n:54][c:55]([CH3:59])[o:56][c:57]2[CH3:58])[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]([O:43][c:44]2[cH:45][c:46]([Cl:50])[cH:47][cH:48][cH:49]2)[cH:41][cH:42]1)[O:36]3)=[O:60].[CH3:61][OH:62].[Li+:64].[OH-:63]>>[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:51](=[O:52])[c:53]2[n:54][c:55]([CH3:59])[o:56][c:57]2[CH3:58])[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]([O:43][c:44]2[cH:45][c:46]([Cl:50])[cH:47][cH:48][cH:49]2)[cH:41][cH:42]1)[O:36]3)[OH:60]Participants
6
Sources & evidence
- ORD record
- ord-28c9c11cf50d498daabae0629f2c68e9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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