Citric Acid → 7-[5-(3-Hydroxyoct-1-en-1-yl)-1,3-thiazol-4-yl]heptanoic acid
Reaction equation
[C:1](=[O:2])([O:3][CH3:4])[CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][c:11]1[n:12][cH:13][s:14][c:15]1[CH:16]=[CH:17][CH:18]([CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[OH:24].[CH3:80][CH2:81][O:82][C:83](=[O:84])[CH3:85].[CH3:86][CH2:87][CH2:88][CH2:89][CH2:90][CH2:91][CH3:92].[CH:31]12[CH2:32][CH:33]([OH:34])[CH:35]3[CH:36]([CH2:37][CH:38]([OH:58])[C:39]4([CH3:57])[CH:40]3[CH2:41][CH2:42][CH:43]4[CH:44]([CH2:45][CH2:46][C:47]([NH:48][CH2:49][CH2:50][S:51](=[O:52])(=[O:53])[OH:54])=[O:55])[CH3:56])[C:59]1([CH3:60])[CH2:61][CH2:62][CH:63]([OH:64])[CH2:65]2.[Na:30].[O-:25][P:26](=[O:27])([O-:28])[O-:29].[OH2:79].[OH:66][C:67]([CH2:68][C:69]([C:70](=[O:71])[OH:72])([CH2:73][C:74](=[O:75])[OH:76])[OH:77])=[O:78]>>[C:1](=[O:2])([OH:3])[CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][c:11]1[n:12][cH:13][s:14][c:15]1[CH:16]=[CH:17][CH:18]([CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[OH:24]Participants
9
Reactant 8
HCID 311Citric Acid
HCID 962Water
HCID 1061Phosphate
HCID 52472-[4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]ethanesulfonic acid
HCID 8857Ethyl Acetate
HCID 8900Heptane
HCID 5360545Sodium
HCID 54334742Methyl 7-[5-(3-hydroxyoct-1-en-1-yl)-1,3-thiazol-4-yl]heptanoateProduct 1
Sources & evidence
- ORD record
- ord-c52e6239c40e4a86991f4b33c56060db
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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