Chloride → 1-(4-Methoxycarbonylphenyl)-4-(4-n-pentyloxyphenyl)butane-1,4-dione

HRID 2337891Notes

Reaction equation

HRID 2337891 reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[O:6][c:7]1[cH:8][cH:9][c:10]([C:13](=[O:14])[CH:15]=[CH2:16])[cH:11][cH:12]1.[CH2:37]([n+:38]1[c:39]([CH3:40])[c:41]([CH2:42][CH2:43][OH:44])[s:45][cH:46]1)[c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:53][CH2:54][OH:55].[CH:17](=[O:18])[c:19]1[cH:20][cH:21][c:22]([C:23](=[O:24])[O:25][CH3:26])[cH:27][cH:28]1.[Cl-:36]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[O:6][c:7]1[cH:8][cH:9][c:10]([C:13](=[O:14])[CH2:15][CH2:16][C:17](=[O:18])[c:19]2[cH:20][cH:21][c:22]([C:23](=[O:24])[O:25][CH3:26])[cH:27][cH:28]2)[cH:11][cH:12]1

Participants

7

Reactant 6

HCID 312ChlorideHCID 702EthanolHCID 8471TriethylamineHCID 15294Methyl 4-FormylbenzoateHCID 4253053-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-iumHCID 227132221-(4-n-Pentyloxyphenyl)acrolein

Product 1

HCID 227132231-(4-Methoxycarbonylphenyl)-4-(4-n-pentyloxyphenyl)butane-1,4-dione

Sources & evidence

ORD record
ord-43d2245b19db472f9372474f58cc827e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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