p-Toluenesulfonic acid → HCID 20774160, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:13][CH:14]([CH:15]([CH2:16][N:17]([S:18](=[O:19])(=[O:20])[c:21]2[cH:22][cH:23][c:24]([N+:27](=[O:28])[O-:29])[cH:25][cH:26]2)[CH2:30][CH:31]([CH3:32])[CH3:33])[OH:34])[NH:35][C:36]([O:37][CH:38]2[CH2:39][O:40][CH:41]3[O:42][CH2:43][CH2:44][CH:45]23)=[O:46])[cH:47][cH:48]1.[CH3:49][O:50][C:51]([CH3:52])([CH3:53])[O:54][CH3:55].[Cl:67][CH2:68][Cl:69].[c:56]1([CH3:57])[cH:58][cH:59][c:60]([S:61]([OH:62])(=[O:63])=[O:64])[cH:65][cH:66]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:13][CH:14]2[CH:15]([CH2:16][N:17]([S:18](=[O:19])(=[O:20])[c:21]3[cH:22][cH:23][c:24]([N+:27](=[O:28])[O-:29])[cH:25][cH:26]3)[CH2:30][CH:31]([CH3:32])[CH3:33])[O:34][C:51]([CH3:52])([CH3:53])[N:35]2[C:36]([O:37][CH:38]2[CH2:39][O:40][CH:41]3[O:42][CH2:43][CH2:44][CH:45]23)=[O:46])[cH:47][cH:48]1Participants
5
Sources & evidence
- ORD record
- ord-a45265c1209b4638a6ba0c98cddfe036
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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