Acetonitrile → 5-difluoromethyl-4-{5-(3-hydroxyl-3-methyl-1-butynyl)-2-methylbenzyl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH3:19])[c:6]([CH2:7][n:8]2[c:9](=[O:17])[n:10]([CH3:16])[n:11][c:12]2[CH:13]([F:14])[F:15])[cH:18]1.[CH3:102][C:103]#[N:104].[CH3:20][C:21]([CH3:22])([C:23]#[CH:24])[OH:25].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH3:96][O:97][C:98]([CH3:99])([CH3:100])[CH3:101].[Cu:93]([I:94])[I:95].[Pd:52]([Cl:53])[Cl:54].[c:26]1([P:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:40][cH:41][cH:42][cH:43][cH:44]1.[c:55]1([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70][cH:71][cH:72][cH:73]1.[c:74]1([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[cH:88][cH:89][cH:90][cH:91][cH:92]1>>[c:2]1([C:24]#[C:23][C:21]([CH3:20])([CH3:22])[OH:25])[cH:3][cH:4][c:5]([CH3:19])[c:6]([CH2:7][n:8]2[c:9](=[O:17])[n:10]([CH3:16])[n:11][c:12]2[CH:13]([F:14])[F:15])[cH:18]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-b74cde56fa05446bbb8dbf09ed4f31ae
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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