Toluene-4-thiosulfonic acid S-(4-amino-2-tert-butyl-5-methyl-phenyl) ester → 5-(4-amino-2-tert-butyl-5-methyl-phenyl)sulfanyl-2-[2-(4-amino-3,5-dichloro-phenyl)ethyl]-4-hydroxy-2-isopropyl-3H-pyran-6-one
Reaction equation
[CH:46]1([C:47]2([CH2:48][CH2:49][c:50]3[cH:51][cH:52][c:53]([OH:54])[cH:55][cH:56]3)[O:57][C:58](=[O:59])[CH:60]=[C:61]([OH:62])[CH2:63]2)[CH2:64][CH2:65][CH2:66][CH2:67]1.[NH2:1][c:2]1[cH:3][c:4]([C:20]([CH3:21])([CH3:22])[CH3:23])[c:5]([S:9][S:10]([c:11]2[cH:12][cH:13][c:14]([CH3:15])[cH:16][cH:17]2)(=[O:18])=[O:19])[cH:6][c:7]1[CH3:8].[NH2:24][c:25]1[c:26]([Cl:45])[cH:27][c:28]([CH2:32][CH2:33][C:34]2([CH:42]([CH3:43])[CH3:44])[CH2:35][C:36]([OH:41])=[CH:37][C:38](=[O:40])[O:39]2)[cH:29][c:30]1[Cl:31]>>[NH2:1][c:2]1[cH:3][c:4]([C:20]([CH3:21])([CH3:22])[CH3:23])[c:5]([S:9][C:37]2=[C:36]([OH:41])[CH2:35][C:34]([CH2:33][CH2:32][c:28]3[cH:27][c:26]([Cl:45])[c:25]([NH2:24])[c:30]([Cl:31])[cH:29]3)([CH:42]([CH3:43])[CH3:44])[O:39][C:38]2=[O:40])[cH:6][c:7]1[CH3:8]Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-4bbfdb569cef48a8b80f251e42b52d7c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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