Methanesulfonic Acid → HCID 178458641, compound
Reaction equation
[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:31][S:32]([OH:33])(=[O:34])=[O:35].[CH3:45][N:46]([c:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1)[CH3:53].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[NH2:1][CH2:2][c:3]1[c:4]([NH:20][CH:21]([CH2:22][OH:23])[c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]2)[n:5][c:6]([NH:10][c:11]2[n:12][nH:13][c:14]([O:16][CH:17]([CH3:18])[CH3:19])[cH:15]2)[c:7]([F:9])[cH:8]1>>[NH:1]([CH2:2][c:3]1[c:4]([NH:20][CH:21]([CH2:22][OH:23])[c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]2)[n:5][c:6]([NH:10][c:11]2[n:12][nH:13][c:14]([O:16][CH:17]([CH3:18])[CH3:19])[cH:15]2)[c:7]([F:9])[cH:8]1)[S:32]([CH3:31])(=[O:33])=[O:34]Participants
6
Sources & evidence
- ORD record
- ord-6dfd5a3f5b594c1bbf18336aca66577e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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