p-Toluenesulfonic acid → HCID 67140713, compound
Reaction equation
[CH3:1][c:2]1[cH:3][c:4]([C:27]#[N:28])[cH:5][c:6]2[n:7][c:8](-[c:11]3[cH:12][cH:13][c:14]([CH2:17][CH2:18][CH2:19][O:20][CH:21]4[CH2:22][CH2:23][CH2:24][CH2:25][O:26]4)[cH:15][cH:16]3)[o:9][c:10]12.[c:29]1([CH3:30])[cH:31][cH:32][c:33]([S:34]([OH:35])(=[O:36])=[O:37])[cH:38][cH:39]1>>[CH3:1][c:2]1[cH:3][c:4]([C:27]#[N:28])[cH:5][c:6]2[n:7][c:8](-[c:11]3[cH:12][cH:13][c:14]([CH2:17][CH2:18][CH2:19][OH:20])[cH:15][cH:16]3)[o:9][c:10]12Participants
3
Sources & evidence
- ORD record
- ord-4f7a728b5e4d4305a5a34fc91ad8334c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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