Toluene → 2-Amino-3-cyano-4-methyl-5-(2,3-dihydro-2,2-dimethyl-3-benzofuranon-4yl)pyridine
Reaction equation
[CH3:12][C:13]1([CH3:27])[O:14][c:15]2[c:16]([c:19]([Sn:23]([CH3:24])([CH3:25])[CH3:26])[cH:20][cH:21][cH:22]2)[C:17]1=[O:18].[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[NH2:1][c:2]1[n:3][cH:4][c:5]([I:11])[c:6]([CH3:10])[c:7]1[C:8]#[N:9].[cH:41]1[cH:42][cH:43][c:44]([P:45]([Pd:46]([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[cH:116][cH:117]1>>[NH2:1][c:2]1[n:3][cH:4][c:5](-[c:19]2[c:16]3[c:15]([cH:22][cH:21][cH:20]2)[O:14][C:13]([CH3:12])([CH3:27])[C:17]3=[O:18])[c:6]([CH3:10])[c:7]1[C:8]#[N:9]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-4c5aebc30b1f44bbb5050587f4c351c1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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