Toluene → 2-Cyclohexylchroman-4-one

HRID 174509Notes

Reaction equation

HRID 174509 reaction equation
[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH:1]1([CH:7]=[C:8]([C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[C:16](=[O:17])[c:18]2[c:19]([OH:24])[cH:20][cH:21][cH:22][cH:23]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[NH2:36][C:37](=[S:38])[NH2:39].[c:25]1([CH3:26])[cH:27][cH:28][c:29]([S:30]([OH:31])(=[O:32])=[O:33])[cH:34][cH:35]1>>[CH:1]1([CH:7]2[CH2:8][C:16](=[O:17])[c:18]3[c:19]([cH:20][cH:21][cH:22][cH:23]3)[O:24]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 2723790ThioureaHCID 67201654Tert-butyl 3-cyclohexyl-2-(2-hydroxybenzoyl)prop-2-enoate

Product 1

HCID 52035022-Cyclohexylchroman-4-one

Sources & evidence

ORD record
ord-ded9bfb70d3c4f14a2f44157641e8f04
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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