p-Toluenesulfonic acid → HCID 58015937, compound
Reaction equation
[CH2:46]1[O:47][CH2:48][CH2:49][O:50][CH2:51]1.[CH3:57][CH2:58][O:59][C:60]([CH3:61])=[O:62].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:7]1)[N:8]([CH:14]([CH2:15][CH3:16])[CH2:17][CH3:18])[C:9](=[O:13])[C:10]2([CH3:11])[CH3:12].[NH2:19][c:20]1[cH:21][cH:22][c:23]([N:26]2[CH2:27][CH2:28][N:29]([C:32]([CH3:33])=[O:34])[CH2:30][CH2:31]2)[cH:24][cH:25]1.[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[c:35]1([CH3:36])[cH:37][cH:38][c:39]([S:40]([OH:41])(=[O:42])=[O:43])[cH:44][cH:45]1>>[c:2]1([NH:19][c:20]2[cH:21][cH:22][c:23]([N:26]3[CH2:27][CH2:28][N:29]([C:32]([CH3:33])=[O:34])[CH2:30][CH2:31]3)[cH:24][cH:25]2)[n:3][cH:4][c:5]2[c:6]([n:7]1)[N:8]([CH:14]([CH2:15][CH3:16])[CH2:17][CH3:18])[C:9](=[O:13])[C:10]2([CH3:11])[CH3:12]Participants
7
Sources & evidence
- ORD record
- ord-cd743a905e824f25b58329129841e549
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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