p-Toluenesulfonic acid → HCID 86746120, compound
Reaction equation
[CH2:1]([CH3:2])[CH:3]1[C:4](=[O:58])[CH2:5][CH2:6][CH:7]([CH3:57])[CH:8]([C:42](=[CH:43][CH:44]2[CH2:45][CH:46]([Cl:55])[CH:47]([O:50][Si:51]([CH3:52])([CH3:53])[CH3:54])[CH2:48][CH2:49]2)[CH3:56])[O:9][C:10](=[O:41])[CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][N:16]2[C:17](=[O:40])[C:18](=[O:39])[C:19]2([OH:38])[CH:20]([CH3:37])[CH2:21][CH:22]([O:35][CH3:36])[CH:23]([CH:24]([O:32][CH3:33])[CH2:25][CH:26]([CH3:31])[CH2:27][C:28]([CH3:30])=[CH:29]1)[O:34]2.[CH2:70]([Cl:71])[Cl:72].[c:59]1([CH3:60])[cH:61][cH:62][c:63]([S:64]([OH:65])(=[O:66])=[O:67])[cH:68][cH:69]1>>[CH2:1]([CH3:2])[CH:3]1[C:4](=[O:58])[CH2:5][CH2:6][CH:7]([CH3:57])[CH:8]([C:42](=[CH:43][CH:44]2[CH2:45][CH:46]([Cl:55])[CH:47]([OH:50])[CH2:48][CH2:49]2)[CH3:56])[O:9][C:10](=[O:41])[CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][N:16]2[C:17](=[O:40])[C:18](=[O:39])[C:19]2([OH:38])[CH:20]([CH3:37])[CH2:21][CH:22]([O:35][CH3:36])[CH:23]([CH:24]([O:32][CH3:33])[CH2:25][CH:26]([CH3:31])[CH2:27][C:28]([CH3:30])=[CH:29]1)[O:34]2Participants
4
Sources & evidence
- ORD record
- ord-27dec51828fc49f4a4942975d43c2087
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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