Toluene → 2-Chloro-6-(1-ethoxyvinyl)-isonicotinic acid methyl ester
Reaction equation
[CH2:20]([Sn:21]([CH2:22][CH2:23][CH2:24][CH3:30])([C:25](=[CH2:26])[O:27][CH2:28][CH3:29])[CH2:31][CH2:32][CH2:33][CH3:34])[CH2:35][CH2:36][CH3:37].[CH3:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[CH3:38][CH2:39][O:40][CH2:41][CH3:42].[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][c:10]([Cl:12])[n:11]1.[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119]1>>[c:2]1([C:25](=[CH2:26])[O:27][CH2:28][CH3:29])[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][c:10]([Cl:12])[n:11]1Participants
6
Sources & evidence
- ORD record
- ord-7d2db5c2a8034f2ea15dd774d2106a97
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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