p-Toluenesulfonic acid → HCID 178460864, compound
Reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[S:9][CH2:10][CH:11]([C:12](=[O:13])[N:14]1[CH:15]([C:16](=[O:17])[OH:18])[CH2:19][CH:20]([O:22][c:23]2[cH:24][cH:25][c:26]([CH:29]=[CH:30][O:31][CH3:32])[cH:27][cH:28]2)[CH2:21]1)[CH3:33].[CH3:51][O:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[CH3:70][C:71]#[N:72].[NH2:34][c:35]1[c:36]([S:46](=[O:47])(=[O:48])[NH:49][CH3:50])[cH:37][c:38]([S:42](=[O:43])(=[O:44])[NH2:45])[c:39]([Cl:41])[cH:40]1.[c:59]1([CH3:60])[cH:61][cH:62][c:63]([S:64]([OH:65])(=[O:66])=[O:67])[cH:68][cH:69]1>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[S:9][CH2:10][CH:11]([C:12](=[O:13])[N:14]1[CH:15]([C:16](=[O:17])[OH:18])[CH2:19][CH:20]([O:22][c:23]2[cH:24][cH:25][c:26]([CH2:29][CH:30]3[NH:34][c:35]4[c:36]([cH:37][c:38]([S:42](=[O:43])(=[O:44])[NH2:45])[c:39]([Cl:41])[cH:40]4)[S:46](=[O:47])(=[O:48])[N:49]3[CH3:50])[cH:27][cH:28]2)[CH2:21]1)[CH3:33]Participants
6
Sources & evidence
- ORD record
- ord-7ca7d8b1ca6e43988992b6ac27d7c231
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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