p-Toluenesulfonic acid → HCID 178445228, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]1[N:8]([CH2:12][C:13]([CH:14]([NH:15][C:16](=[O:17])[O:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)=[O:33])[CH2:9][CH2:10][CH2:11]1)=[O:34].[CH3:35][c:36]1[cH:37][cH:38][c:39]([S:40](=[O:41])(=[O:42])[OH:43])[cH:44][cH:45]1.[CH3:46][CH:47]([CH2:48][CH2:49][C:50](=[O:51])[NH:52][CH:53]([CH2:54][C:55]([NH2:56])=[O:57])[C:58]([OH:59])=[O:60])[CH3:61]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]1[N:8]([CH2:12][C:13]([CH:14]([NH:15][C:16](=[O:17])[CH:53]([NH:52][C:50]([CH2:49][CH2:48][CH:47]([CH3:46])[CH3:61])=[O:51])[CH2:54][C:55]([NH2:56])=[O:57])[CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)=[O:33])[CH2:9][CH2:10][CH2:11]1)=[O:34]Participants
4
Sources & evidence
- ORD record
- ord-8445b2e7fa2c43b08701f23c3d2846bc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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