Ethanol → 2-Thien-2-ylisonicotinonitrile
Reaction equation
[C:19](=[O:20])([O-:21])[O-:22].[CH2:31]([OH:32])[CH3:33].[CH3:25][CH2:26][O:27][C:28](=[O:29])[CH3:30].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([C:8]#[N:9])[cH:7]1.[K+:23].[K+:24].[OH2:41].[c:34]1([CH3:35])[cH:36][cH:37][cH:38][cH:39][cH:40]1.[cH:42]1[cH:43][cH:44][c:45]([P:46]([Pd:47]([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118]1.[s:10]1[c:11]([O:15][B:16]([OH:17])[OH:18])[cH:12][cH:13][cH:14]1>>[c:2]1(-[c:11]2[s:10][cH:14][cH:13][cH:12]2)[n:3][cH:4][cH:5][c:6]([C:8]#[N:9])[cH:7]1Participants
10
Sources & evidence
- ORD record
- ord-e882f4683fe44bad86d111768a32506b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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