Dimethyl Sulfoxide → 5-(2,5-Dimethoxy-3,4,6-trimethylphenyl)-5-phenylvaleronitrile

HRID 2128339

Reaction equation

HRID 2128339 reaction equation
[CH3:36][S:37]([CH3:38])=[O:39].[CH:28]([O:29][CH:30]([CH3:31])[CH3:32])([CH3:33])[CH3:34].[I:1][CH2:2][CH2:3][CH2:4][CH:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[c:12]1[c:13]([O:23][CH3:24])[c:14]([CH3:22])[c:15]([CH3:21])[c:16]([O:19][CH3:20])[c:17]1[CH3:18].[Na:25][C:26]#[N:27].[OH2:35]>>[CH2:2]([CH2:3][CH2:4][CH:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[c:12]1[c:13]([O:23][CH3:24])[c:14]([CH3:22])[c:15]([CH3:21])[c:16]([O:19][CH3:20])[c:17]1[CH3:18])[C:26]#[N:27]

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 7914Diisopropyl EtherHCID 190880271-Iodo-4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-4-phenylbutaneHCID 178511850HCID 178511850, compound

Product 1

HCID 190880865-(2,5-Dimethoxy-3,4,6-trimethylphenyl)-5-phenylvaleronitrile

Sources & evidence

ORD record
ord-f3a53dab7c664a80a420ecb75c370ab0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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