3-Chlorobenzoic Acid → 5-Benzenesulfinyl-2-(2-hydroxy-3,5-di-tert-butylphenyl)-2H-benzotriazole
Reaction equation
[CH2:53]([Cl:54])[Cl:55].[Cl:32][c:33]1[cH:34][c:35]([C:40](=[O:37])[O:41][OH:42])[cH:36][cH:38][cH:39]1.[Cl:43][c:44]1[cH:45][c:46]([C:50]([OH:51])=[O:52])[cH:47][cH:48][cH:49]1.[c:1]1([S:7][c:8]2[cH:9][c:10]3[c:11]([n:12][n:13](-[c:15]4[c:16]([OH:29])[c:17]([C:25]([CH3:26])([CH3:27])[CH3:28])[cH:18][c:19]([C:21]([CH3:22])([CH3:23])[CH3:24])[cH:20]4)[n:14]3)[cH:30][cH:31]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7]([c:8]2[cH:9][c:10]3[c:11]([n:12][n:13](-[c:15]4[c:16]([OH:29])[c:17]([C:25]([CH3:26])([CH3:27])[CH3:28])[cH:18][c:19]([C:21]([CH3:22])([CH3:23])[CH3:24])[cH:20]4)[n:14]3)[cH:30][cH:31]2)=[O:37])[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
5
Sources & evidence
- ORD record
- ord-6d4a6700633a45b086ccbb75be870104
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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