p-Toluenesulfonic acid → HCID 178449322, compound
Reaction equation
[C:24](=[O:25])([OH:26])[c:27]1[cH:28][cH:29][c:30]([C:33](=[O:34])[NH:35][CH:36]([CH:37]([CH3:38])[CH3:39])[C:40](=[O:41])[N:42]([CH2:43][C:44](=[O:45])[NH:46][CH:47]([C:48]([C:49]([F:50])([F:51])[F:52])=[O:53])[CH:54]([CH3:55])[CH3:56])[CH:57]2[CH2:58][c:59]3[cH:60][cH:61][cH:62][cH:63][c:64]3[CH2:65]2)[cH:31][cH:32]1.[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[O:19][C:20]([CH2:21][NH2:22])=[O:23].[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1>>[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[O:19][C:20]([CH2:21][NH:22][C:24](=[O:25])[c:27]1[cH:28][cH:29][c:30]([C:33](=[O:34])[NH:35][CH:36]([CH:37]([CH3:38])[CH3:39])[C:40](=[O:41])[N:42]([CH2:43][C:44](=[O:45])[NH:46][CH:47]([C:48]([C:49]([F:50])([F:51])[F:52])=[O:53])[CH:54]([CH3:55])[CH3:56])[CH:57]2[CH2:58][c:59]3[cH:60][cH:61][cH:62][cH:63][c:64]3[CH2:65]2)[cH:31][cH:32]1)=[O:23]Participants
4
Sources & evidence
- ORD record
- ord-836b93d678ae4c78a80818a1b868706a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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