Toluene → 3-[4-[9-Bicyclo[3.3.1]nonanylidene-(4-hydroxyphenyl)methyl]phenyl]prop-2-enoic acid

HRID 1554557Notes

Reaction equation

HRID 1554557 reaction equation
[CH3:1][C:2]([CH3:3])([CH3:4])[C:5]([C:6](=[O:7])[O-:8])=[CH:9][c:10]1[cH:11][cH:12][c:13]([C:16]([c:17]2[cH:18][cH:19][c:20]([OH:23])[cH:21][cH:22]2)=[C:24]2[CH:25]3[CH2:26][CH2:27][CH2:28][CH:29]2[CH2:30][CH2:31][CH2:32]3)[cH:14][cH:15]1.[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[Cl:40][CH2:41][Cl:42].[F:33][C:34]([F:35])([F:36])[C:37]([OH:38])=[O:39]>>[CH:5]([C:6](=[O:7])[OH:8])=[CH:9][c:10]1[cH:11][cH:12][c:13]([C:16]([c:17]2[cH:18][cH:19][c:20]([OH:23])[cH:21][cH:22]2)=[C:24]2[CH:25]3[CH2:26][CH2:27][CH2:28][CH:29]2[CH2:30][CH2:31][CH2:32]3)[cH:14][cH:15]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 178442358HCID 178442358, compound

Product 1

HCID 686545173-[4-[9-Bicyclo[3.3.1]nonanylidene-(4-hydroxyphenyl)methyl]phenyl]prop-2-enoic acid

Sources & evidence

ORD record
ord-0f1453b6a092440d9e81f493c25ed86a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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