Methanol → HCID 178460863, compound
Reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[S:9][CH2:10][CH:11]([C:12](=[O:13])[N:14]1[CH:15]([C:16](=[O:17])[OH:18])[CH2:19][CH:20]([O:22][c:23]2[cH:24][cH:25][c:26]([CH:29]=[CH:30][O:31][CH3:32])[cH:27][cH:28]2)[CH2:21]1)[CH3:33].[CH3:53][O:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[CH3:72][OH:73].[CH3:74][C:75]#[N:76].[NH2:34][c:35]1[c:36]([S:49](=[O:50])(=[O:51])[NH2:52])[cH:37][c:38]([S:45](=[O:46])(=[O:47])[NH2:48])[c:39]([C:41]([F:42])([F:43])[F:44])[cH:40]1.[c:61]1([CH3:62])[cH:63][cH:64][c:65]([S:66]([OH:67])(=[O:68])=[O:69])[cH:70][cH:71]1>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[S:9][CH2:10][CH:11]([C:12](=[O:13])[N:14]1[CH:15]([C:16](=[O:17])[OH:18])[CH2:19][CH:20]([O:22][c:23]2[cH:24][cH:25][c:26]([CH2:29][CH:30]3[NH:34][c:35]4[c:36]([cH:37][c:38]([S:45](=[O:46])(=[O:47])[NH2:48])[c:39]([C:41]([F:42])([F:43])[F:44])[cH:40]4)[S:49](=[O:50])(=[O:51])[NH:52]3)[cH:27][cH:28]2)[CH2:21]1)[CH3:33]Participants
7
Sources & evidence
- ORD record
- ord-05899dc726694fa7a5e4e8b922956bb4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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