4-[3-(6-Bromo-hexyl)-2-(ethoxycarbonyl-ethyl)-phenoxy]-butyric acid ethyl ester → HCID 57586479, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH2:6][CH2:7][O:8][c:9]1[c:10]([CH2:22][CH2:23][C:24](=[O:25])[O:26][CH2:27][CH3:28])[c:11]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][Br:21])[cH:12][cH:13][cH:14]1)=[O:29].[F:30][c:31]1[cH:32][c:33](-[c:37]2[cH:38][c:39]([OH:44])[cH:40][c:41]([I:43])[cH:42]2)[cH:34][cH:35][cH:36]1>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH2:6][CH2:7][O:8][c:9]1[c:10]([CH2:22][CH2:23][C:24](=[O:25])[O:26][CH2:27][CH3:28])[c:11]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][O:44][c:39]2[cH:38][c:37](-[c:33]3[cH:32][c:31]([F:30])[cH:36][cH:35][cH:34]3)[cH:42][c:41]([I:43])[cH:40]2)[cH:12][cH:13][cH:14]1)=[O:29]Participants
3
Sources & evidence
- ORD record
- ord-2dcf8b33f08e486f89eabe62dd973c19
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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