Benzene → HCID 178438133, compound

HRID 1233182Notes

Reaction equation

HRID 1233182 reaction equation
[C:50]([O:51][CH2:52][CH3:53])(=[O:54])[CH3:55].[CH3:1][C:2]1([CH3:31])[CH2:3][O:4][CH:5]([CH:8]([CH3:9])[CH:10]2[CH2:11][CH2:12][CH:13]3[CH:14]4[CH:15]([OH:30])[CH2:16][C:17]5=[CH:18][C:19](=[O:29])[CH:20]=[CH:21][C:22]5([CH3:23])[CH:24]4[CH2:25][CH2:26][C:27]23[CH3:28])[O:6][CH2:7]1.[CH3:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[OH2:43].[c:32]1([CH3:33])[cH:34][cH:35][c:36]([S:37]([OH:38])(=[O:39])=[O:40])[cH:41][cH:42]1.[cH:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1>>[CH3:1][C:2]1([CH3:31])[CH2:3][O:4][CH:5]([CH:8]([CH3:9])[CH:10]2[CH2:11][CH2:12][CH:13]3[CH:14]4[CH:15]=[CH:16][C:17]5=[CH:18][C:19](=[O:29])[CH:20]=[CH:21][C:22]5([CH3:23])[CH:24]4[CH2:25][CH2:26][C:27]23[CH3:28])[O:6][CH2:7]1

Participants

7

Reactant 6

HCID 241BenzeneHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 8058HexaneHCID 8857Ethyl AcetateHCID 178438138HCID 178438138, compound

Product 1

HCID 178438133HCID 178438133, compound

Sources & evidence

ORD record
ord-82742d5ca0a84c1893364aea4ce3973a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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