Methanol → HCID 12109773, compound
Reaction equation
[CH2:31]([CH2:32][CH2:33][CH3:34])[C:35]1([CH2:73][CH3:74])[CH:36]([OH:72])[CH:37]([c:51]2[cH:52][c:53]([NH:57][C:58](=[O:59])[CH2:60][O:61][CH2:62][CH2:63][O:64][CH2:65][CH2:66][O:67][CH2:68][C:69](=[O:70])[OH:71])[cH:54][cH:55][cH:56]2)[c:38]2[c:39]([cH:44][cH:45][c:46]([N:48]([CH3:49])[CH3:50])[cH:47]2)[S:40](=[O:42])(=[O:43])[CH2:41]1.[CH3:75][OH:76].[Cl:77][CH2:78][Cl:79].[NH2:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[CH:10]([CH2:21][CH2:22][CH:23]([c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[OH:30])[C:11](=[O:20])[N:12]2[c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[cH:7][cH:8]1>>[NH:1]([CH2:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[CH:10]([CH2:21][CH2:22][CH:23]([c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[OH:30])[C:11](=[O:20])[N:12]2[c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[cH:7][cH:8]1)[C:69]([CH2:68][O:67][CH2:66][CH2:65][O:64][CH2:63][CH2:62][O:61][CH2:60][C:58]([NH:57][c:53]1[cH:52][c:51]([CH:37]2[CH:36]([OH:72])[C:35]([CH2:31][CH2:32][CH2:33][CH3:34])([CH2:73][CH3:74])[CH2:41][S:40](=[O:42])(=[O:43])[c:39]3[c:38]2[cH:47][c:46]([N:48]([CH3:49])[CH3:50])[cH:45][cH:44]3)[cH:56][cH:55][cH:54]1)=[O:59])=[O:70]Participants
5
Sources & evidence
- ORD record
- ord-1a53c4cd711e408db0ac23ac5a66680f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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