p-Toluenesulfonic acid → HCID 16042219, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6]([NH:7][c:8]1[c:9](-[c:22]2[c:23]([Cl:42])[c:24]([NH:29][C:30]([c:31]3[cH:32][c:33]([C:37]([F:38])([F:39])[F:40])[cH:34][cH:35][cH:36]3)=[O:41])[cH:25][cH:26][c:27]2[Cl:28])[cH:10][c:11]2[c:12]([n:13][c:14]([S:17]([CH3:18])(=[O:19])=[O:20])[n:15][cH:16]2)[n:21]1)=[O:43].[CH2:55]([CH3:56])[N:57]([CH2:58][CH2:59][O:60][c:61]1[cH:62][cH:63][c:64]([NH2:67])[cH:65][cH:66]1)[CH2:68][CH3:69].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[c:44]1([CH3:45])[cH:46][cH:47][c:48]([S:49]([OH:50])(=[O:51])=[O:52])[cH:53][cH:54]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6]([NH:7][c:8]1[c:9](-[c:22]2[c:23]([Cl:42])[c:24]([NH:29][C:30]([c:31]3[cH:32][c:33]([C:37]([F:38])([F:39])[F:40])[cH:34][cH:35][cH:36]3)=[O:41])[cH:25][cH:26][c:27]2[Cl:28])[cH:10][c:11]2[c:12]([n:13][c:14]([NH:67][c:64]3[cH:63][cH:62][c:61]([O:60][CH2:59][CH2:58][N:57]([CH2:55][CH3:56])[CH2:68][CH3:69])[cH:66][cH:65]3)[n:15][cH:16]2)[n:21]1)=[O:43]Participants
5
Sources & evidence
- ORD record
- ord-9a83d732ca9c421d978ae5505e7540be
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…