8-bromo-2-[2-(2,4-difluoro-phenyl)-2H-[1,2,4]triazol-3-yl]-4,5-dihydro-2H-6-oxa-1,2-diaza-benzo[e]azulene → 9-Bromo-2-[2-(2-chloro-phenyl)-2H-[1,2,4]triazol-3-yl]-4,5-dihydro-2H-6-oxa-1,2-diaza-benzo[e]azulene
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:11]([cH:12]1)[O:10][CH2:9][CH2:8][c:7]1[c:6]-2[n:28][n:14](-[c:15]2[n:16](-[c:17]3[cH:18][cH:19][c:20]([F:21])[cH:22][c:23]3[F:24])[n:25][cH:26][n:27]2)[cH:13]1.[Br:42][c:43]1[cH:44][cH:45][c:46]2[c:47]([cH:56]1)-[c:48]1[n:49][nH:50][cH:51][c:52]1[CH2:53][CH2:54][O:55]2.[Cl:29][c:30]1[n:31][cH:32][n:33][n:34]1-[c:35]1[c:36]([Cl:41])[cH:37][cH:38][cH:39][cH:40]1>>[c:30]1(-[n:50]2[n:49][c:48]3[c:52]([cH:51]2)[CH2:53][CH2:54][O:55][c:46]2[cH:45][cH:44][c:43]([Br:42])[cH:56][c:47]2-3)[n:31][cH:32][n:33][n:34]1-[c:35]1[c:36]([Cl:41])[cH:37][cH:38][cH:39][cH:40]1Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-79ed6b1a5f82482baad2f78c40fb3bfb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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