Acetonitrile → 3-[1-(4-bromophenyl)-1-methylethyl]-1-[(15-methyl-8-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-15-yl)carbonyl]-1H-1,2,4-triazol-5-amine
Reaction equation
[Br:54][c:55]1[cH:56][cH:57][c:58]([C:61]([CH3:62])([CH3:63])[c:64]2[n:65][c:66]([NH2:69])[n:67][nH:68]2)[cH:59][cH:60]1.[CH2:34]([N:35]([CH:36]([CH3:37])[CH3:38])[CH:39]([CH3:40])[CH3:41])[CH3:42].[CH3:1][C:2]1([C:21](=[O:22])[OH:23])[CH:3]2[c:4]3[cH:5][cH:6][cH:7][cH:8][c:9]3[C:10]([N+:18](=[O:19])[O-:20])([c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]32)[CH2:17]1.[CH3:43][CH2:44][N:45]=[C:46]=[N:47][CH2:48][CH2:49][CH2:50][N:51]([CH3:52])[CH3:53].[CH3:70][C:71]#[N:72].[OH:24][n:25]1[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]2[n:32][n:33]1>>[CH3:1][C:2]1([C:21](=[O:23])[n:67]2[c:66]([NH2:69])[n:65][c:64]([C:61]([c:58]3[cH:57][cH:56][c:55]([Br:54])[cH:60][cH:59]3)([CH3:62])[CH3:63])[n:68]2)[CH:3]2[c:4]3[cH:5][cH:6][cH:7][cH:8][c:9]3[C:10]([N+:18](=[O:19])[O-:20])([c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]32)[CH2:17]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-dd8bdcd0b7464770b9aec8f8468d3356
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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