Citric Acid → [4-(3-Bromo-5-isobutoxy-phenylsulfanyl)-2,5-dimethyl-phenoxy]-acetic Acid Ethyl Ester
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([Br:13])[cH:5][c:6]([O:8][CH2:9][CH:10]([CH3:11])[CH3:12])[cH:7]1.[CH2:14]([CH3:15])[O:16][C:17]([CH2:18][O:19][c:20]1[c:21]([CH3:28])[cH:22][c:23]([SH:27])[c:24]([CH3:26])[cH:25]1)=[O:29].[CH3:106][N:107]1[CH2:108][CH2:109][CH2:110][C:111]1=[O:112].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[O:52]=[C:53]([CH:54]=[CH:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1)[CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[O:70]=[C:71]([CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1)[CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[O:88]=[C:89]([CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1)[CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[OH:37][C:38]([CH2:39][C:40]([C:41](=[O:42])[OH:43])([CH2:44][C:45](=[O:46])[OH:47])[OH:48])=[O:49].[Pd:50].[Pd:51]>>[c:2]1([S:27][c:23]2[cH:22][c:21]([CH3:28])[c:20]([O:19][CH2:18][C:17]([O:16][CH2:14][CH3:15])=[O:29])[cH:25][c:24]2[CH3:26])[cH:3][c:4]([Br:13])[cH:5][c:6]([O:8][CH2:9][CH:10]([CH3:11])[CH3:12])[cH:7]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-6d2ec961099c409fb15a0c50ab362e99
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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