S-[2-Tert-butyl-4-(hydroxymethyl)-5-methylphenyl] 4-methylbenzenesulfonothioate → 263842-91-7

HRID 664154Notes

Reaction equation

HRID 664154 reaction equation
[C:24]([CH3:25])([CH3:26])([CH3:27])[c:28]1[c:29]([S:45][S:46]([c:47]2[cH:48][cH:49][c:50]([CH3:51])[cH:52][cH:53]2)(=[O:54])=[O:55])[cH:30][c:31]([CH3:44])[c:32]([O:34][S:35](=[O:36])(=[O:37])[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:33]1.[C:56]([c:57]1[cH:58][c:59]([CH2:60][OH:61])[c:62]([CH3:63])[cH:64][c:65]1[S:66][S:67]([c:68]1[cH:69][cH:70][c:71]([CH3:72])[cH:73][cH:74]1)(=[O:75])=[O:76])([CH3:77])([CH3:78])[CH3:79].[CH:1]1([C:7]2([CH2:15][CH2:16][c:17]3[cH:18][cH:19][c:20]([OH:23])[cH:21][cH:22]3)[CH2:8][C:9]([OH:14])=[CH:10][C:11](=[O:13])[O:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1>>[CH:1]1([C:7]2([CH2:15][CH2:16][c:17]3[cH:18][cH:19][c:20]([OH:23])[cH:21][cH:22]3)[CH2:8][C:9]([OH:14])=[C:10]([S:45][c:29]3[c:28]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:33][c:32]([O:34][S:35](=[O:36])(=[O:37])[c:38]4[cH:39][cH:40][cH:41][cH:42][cH:43]4)[c:31]([CH3:44])[cH:30]3)[C:11](=[O:13])[O:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

4

Reactant 3

HCID 10499026S-[2-Tert-butyl-4-(hydroxymethyl)-5-methylphenyl] 4-methylbenzenesulfonothioateHCID 10791246[5-Tert-butyl-2-methyl-4-(4-methylphenyl)sulfonylsulfanylphenyl] benzenesulfonateHCID 547203146-Cyclohexyl-4-hydroxy-6-[2-(4-hydroxy-phenyl)-ethyl]-5,6-dihydro-pyran-2-one

Product 1

HCID 54688479263842-91-7

Sources & evidence

ORD record
ord-cc8498cca04243f18b672e10d16df16b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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