Methanol → HCID 178501650, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([CH:8]([CH3:9])[CH3:10])[NH:11][C:12](=[O:13])[CH:14]1[NH:15][CH:16]([CH2:35][C:36]([CH3:37])([CH3:38])[CH3:39])[C:17]([C:26]#[N:27])([c:28]2[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]2)[CH:18]1[c:19]1[cH:20][c:21]([Cl:25])[cH:22][cH:23][cH:24]1)=[O:40].[C:41]([O:42][C:43](=[O:44])[CH:45]([NH:46][C:47]([CH:48]1[CH:49]([c:50]2[cH:51][cH:52][cH:53][c:54]([Cl:55])[cH:56]2)[C:57]([c:58]2[cH:59][cH:60][c:61]([Cl:62])[cH:63][cH:64]2)([C:65]#[N:66])[CH:67]([CH2:68][C:69]([CH3:70])([CH3:71])[CH3:72])[NH:73]1)=[O:74])[CH:75]([CH3:76])[CH3:77])([CH3:78])([CH3:79])[CH3:80].[CH3:81][OH:82]>>[CH3:1][O:5][C:6]([CH:7]([CH:8]([CH3:9])[CH3:10])[NH:11][C:12](=[O:13])[CH:14]1[NH:15][CH:16]([CH2:35][C:36]([CH3:37])([CH3:38])[CH3:39])[C:17]([C:26]#[N:27])([c:28]2[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]2)[CH:18]1[c:19]1[cH:20][c:21]([Cl:25])[cH:22][cH:23][cH:24]1)=[O:40]Participants
3
Sources & evidence
- ORD record
- ord-f504248a2a214948a3447fa9e821152b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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