Benzene → HCID 178431405, compound

HRID 181973Notes

Reaction equation

HRID 181973 reaction equation
[CH3:25][S:26]([CH3:27])=[O:28].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[OH:1][CH2:2][C:3]12[CH:4]([CH3:24])[CH2:5][C:6](=[O:23])[CH:7]([CH3:22])[C:8]1=[CH:9][CH2:10][CH:11]1[CH:12]3[CH2:13][CH2:14][C:15](=[O:21])[C:16]3([CH3:17])[CH2:18][CH2:19][CH:20]21.[OH:35][C:36]([C:37]([F:38])([F:39])[F:40])=[O:41].[cH:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[cH:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1>>[O:1]=[CH:2][C:3]12[CH:4]([CH3:24])[CH2:5][C:6](=[O:23])[CH:7]([CH3:22])[C:8]1=[CH:9][CH2:10][CH:11]1[CH:12]3[CH2:13][CH2:14][C:15](=[O:21])[C:16]3([CH3:17])[CH2:18][CH2:19][CH:20]21

Participants

7

Reactant 6

HCID 241BenzeneHCID 679Dimethyl SulfoxideHCID 1049PyridineHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 178431406HCID 178431406, compound

Product 1

HCID 178431405HCID 178431405, compound

Sources & evidence

ORD record
ord-5f8971b8f7ea4b2481a5488de7dc3248
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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