Benzene → HCID 67234731, compound

HRID 283747Notes

Reaction equation

HRID 283747 reaction equation
[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[CH3:57][CH2:58][CH2:59][CH2:60][CH2:61][CH3:62].[OH:26][C:27]([CH3:28])([CH3:29])[C:30]([CH3:31])([CH3:32])[OH:33].[c:1]1([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][O:12][c:13]2[c:14](-[c:21]3[s:22][cH:23][cH:24][cH:25]3)[cH:15][c:16]([CH:17]=[O:18])[cH:19][cH:20]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:34]1([CH3:35])[cH:36][cH:37][c:38]([S:39]([OH:40])(=[O:41])=[O:42])[cH:43][cH:44]1.[cH:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[c:1]1([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][O:12][c:13]2[c:14](-[c:21]3[s:22][cH:23][cH:24][cH:25]3)[cH:15][c:16]([CH:17]3[O:18][C:30]([CH3:31])([CH3:32])[C:27]([CH3:28])([CH3:29])[O:26]3)[cH:19][cH:20]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 241BenzeneHCID 6101p-Toluenesulfonic acidHCID 6425PinacolHCID 8058HexaneHCID 8857Ethyl AcetateHCID 86657224HCID 86657224, compound

Product 1

HCID 67234731HCID 67234731, compound

Sources & evidence

ORD record
ord-91d5d1e59d994d94bee6af748dc6f16c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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