2,2-Dimethylpent-4-en-1-ol → Benzoic acid 6-(5-hydroxy-4,4-dimethylpentyl)-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)-naphthalen-2-yl ester

HRID 310237Notes

Reaction equation

HRID 310237 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([N:21]3[S:22](=[O:27])(=[O:28])[NH:23][C:24](=[O:26])[CH2:25]3)[c:7]([O:12][C:13]([c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)=[O:20])[cH:8][c:9]2[cH:10][cH:11]1.[CH3:29][C:30]([CH2:31][OH:32])([CH2:33][CH:34]=[CH2:35])[CH3:36]>>[c:2]1([CH2:35][CH2:34][CH2:33][C:30]([CH3:29])([CH2:31][OH:32])[CH3:36])[cH:3][c:4]2[cH:5][c:6]([N:21]3[S:22](=[O:27])(=[O:28])[NH:23][C:24](=[O:26])[CH2:25]3)[c:7]([O:12][C:13]([c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)=[O:20])[cH:8][c:9]2[cH:10][cH:11]1

Participants

3

Reactant 2

HCID 107491582,2-Dimethylpent-4-en-1-olHCID 86624016Benzoic acid 6-bromo-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)-naphthalen-2-yl ester

Product 1

HCID 17751433Benzoic acid 6-(5-hydroxy-4,4-dimethylpentyl)-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)-naphthalen-2-yl ester

Sources & evidence

ORD record
ord-cf49d27aff2844788c13f043c95743e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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