Methanol → HCID 178440658, compound
Reaction equation
[CH2:1]([O:2][CH2:3][CH3:4])[CH3:5].[CH3:68][OH:69].[CH3:9][O:10][c:11]1[cH:12][cH:13][c:14]([CH:17]2[CH:18]([O:32][CH:33]([S:34](=[O:35])(=[O:36])[c:37]3[cH:38][cH:39][c:40]([CH3:43])[cH:41][cH:42]3)[c:44]3[cH:45][cH:46][c:47]4[c:48]([cH:58]3)[N:49]([CH2:53][CH2:54][CH2:55][O:56][CH3:57])[CH2:50][CH2:51][O:52]4)[CH2:19][NH:20][CH:21]([CH2:23][CH:24]([CH2:25][CH3:26])[c:27]3[n:28][n:29][n:30][nH:31]3)[CH2:22]2)[cH:15][cH:16]1.[Mg+2:59].[N+:65](=[CH2:66])=[N-:67].[N+:6](=[CH2:7])=[N-:8].[O-:60][S:61](=[O:62])(=[O:63])[O-:64]>>[CH3:1][n:28]1[c:27]([CH:24]([CH2:23][CH:21]2[NH:20][CH2:19][CH:18]([O:32][CH:33]([S:34](=[O:35])(=[O:36])[c:37]3[cH:38][cH:39][c:40]([CH3:43])[cH:41][cH:42]3)[c:44]3[cH:45][cH:46][c:47]4[c:48]([cH:58]3)[N:49]([CH2:53][CH2:54][CH2:55][O:56][CH3:57])[CH2:50][CH2:51][O:52]4)[CH:17]([c:14]3[cH:13][cH:12][c:11]([O:10][CH3:9])[cH:16][cH:15]3)[CH2:22]2)[CH2:25][CH3:26])[n:31][n:30][n:29]1Participants
7
Sources & evidence
- ORD record
- ord-b295502867424e3b8eb1c0cf00b4ca2a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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