Toluene → 5-Cyano-1H-imidazole-2-carboxylic acid [4-(3,6-dihydro-2H-pyran-4-yl)-2-(4,4-dimethyl-cyclohex-1-enyl)-phenyl]-amide

HRID 666809Notes

Reaction equation

HRID 666809 reaction equation
[CH3:1][C:2]1([CH3:31])[CH2:3][CH:4]=[C:5]([c:8]2[c:9]([NH:21][C:22](=[O:23])[c:24]3[nH:25][c:26]([C:29]#[N:30])[cH:27][n:28]3)[cH:10][cH:11][c:12]([C:14]3([OH:20])[CH2:15][CH2:16][O:17][CH2:18][CH2:19]3)[cH:13]2)[CH2:6][CH2:7]1.[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[c:32]1([CH3:33])[cH:34][cH:35][c:36]([S:37]([OH:38])(=[O:39])=[O:40])[cH:41][cH:42]1>>[CH3:1][C:2]1([CH3:31])[CH2:3][CH:4]=[C:5]([c:8]2[c:9]([NH:21][C:22](=[O:23])[c:24]3[nH:25][c:26]([C:29]#[N:30])[cH:27][n:28]3)[cH:10][cH:11][c:12]([C:14]3=[CH:15][CH2:16][O:17][CH2:18][CH2:19]3)[cH:13]2)[CH2:6][CH2:7]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 591285735-Cyano-1H-imidazole-2-carboxylic acid [2-(4,4-dimethyl-cyclohex-1-enyl)-4-(4-hydroxy-tetrahydro-pyran-4-yl)-phenyl]-amide

Product 1

HCID 586945885-Cyano-1H-imidazole-2-carboxylic acid [4-(3,6-dihydro-2H-pyran-4-yl)-2-(4,4-dimethyl-cyclohex-1-enyl)-phenyl]-amide

Sources & evidence

ORD record
ord-c5c7b44c4a9e4c429a3beed46fffaec3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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