Toluene → 5-(4-Chloro-phenyl)-3-vinyl-thiophene-2-carboxylic acid methyl ester
Reaction equation
[CH2:18]([CH2:19][CH2:31][CH3:32])[C:20]([Sn:21])=[C:22]([CH2:23][CH2:24][CH2:25][CH3:26])[CH2:27][CH2:28][CH2:29][CH3:30].[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:11]2[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]2)[cH:8][c:9]1[Br:10].[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:11]2[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]2)[cH:8][c:9]1[CH:18]=[CH2:19]Participants
5
Sources & evidence
- ORD record
- ord-b1a6d931e5784a5088e1a4458e61a48c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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