p-Toluenesulfonic acid → HCID 67662728, compound
Reaction equation
[CH3:88][CH2:89][N:90]([CH2:91][CH3:92])[CH2:93][CH3:94].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([CH:10]=[CH:11][C:12](=[O:13])[OH:14])[cH:6][cH:7][cH:8][cH:9]1.[NH2:37][CH2:38][c:39]1[n:40][n:41][c:42]([CH3:60])[n:43]1-[c:44]1[s:45][c:46]([CH2:58][CH3:59])[cH:47][c:48]1[C:49]([c:50]1[c:51]([Cl:56])[cH:52][cH:53][cH:54][cH:55]1)=[O:57].[P-:61]([F:62])([F:63])([F:64])([F:65])([F:66])[F:67].[c:15]1([CH3:16])[cH:17][cH:18][c:19]([S:20]([OH:21])(=[O:22])=[O:23])[cH:24][cH:25]1.[c:26]1([CH3:27])[cH:28][cH:29][c:30]([S:31]([OH:32])(=[O:33])=[O:34])[cH:35][cH:36]1.[n:68]1([O:69][P+:70]([N:71]([CH3:72])[CH3:73])([N:74]([CH3:75])[CH3:76])[N:77]([CH3:78])[CH3:79])[c:80]2[cH:81][cH:82][cH:83][cH:84][c:85]2[n:86][n:87]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([CH:10]=[CH:11][C:12](=[O:14])[NH:37][CH2:38][c:39]2[n:40][n:41][c:42]([CH3:60])[n:43]2-[c:44]2[s:45][c:46]([CH2:58][CH3:59])[cH:47][c:48]2[C:49]([c:50]2[c:51]([Cl:56])[cH:52][cH:53][cH:54][cH:55]2)=[O:57])[cH:6][cH:7][cH:8][cH:9]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-2ec26cb1ee494697922e1db74b8b7c34
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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