Bromide ion → Pentamethyl 6-cyano-7-phenyloctane-1,2,2,5,6-pentacarboxylate

HRID 2134973Notes

Reaction equation

HRID 2134973 reaction equation
[Br-:1].[C:39](=[O:40])([O-:41])[O-:42].[CH3:45][S:46]([CH3:47])=[O:48].[CH:25]([CH2:26][C:27](=[O:28])[O:29][CH3:30])([C:31](=[O:32])[O:33][CH3:34])[C:35](=[O:36])[O:37][CH3:38].[K+:43].[K+:44].[c:2]1([CH:8]([CH3:9])[C:10]([CH:11]([CH2:12][CH2:13][Br:14])[C:15](=[O:16])[O:17][CH3:18])([C:19](=[O:20])[O:21][CH3:22])[C:23]#[N:24])[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[c:2]1([CH:8]([CH3:9])[C:10]([CH:11]([CH2:12][CH2:13][C:25]([CH2:26][C:27](=[O:28])[O:29][CH3:30])([C:31](=[O:32])[O:33][CH3:34])[C:35](=[O:36])[O:37][CH3:38])[C:15](=[O:16])[O:17][CH3:18])([C:19](=[O:20])[O:21][CH3:22])[C:23]#[N:24])[cH:3][cH:4][cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 259Bromide ionHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 2911921,1,2-Trimethyl ethane-1,1,2-tricarboxylateHCID 13292496Dimethyl 2-phenyl-3-cyano-6-bromohexane-3,4-dicarboxylate

Product 1

HCID 13292497Pentamethyl 6-cyano-7-phenyloctane-1,2,2,5,6-pentacarboxylate

Sources & evidence

ORD record
ord-b53f6e30c46345efab03d5dd29805336
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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