[2-Chloro-4-(2,4-difluoro-phenylamino)-phenyl]-(2-methyl-5-{1-[2-(tetrahydro-pyran-2-yloxy)-ethyl]-1H-[1,2,3]triazol-4-yl}-phenyl)-methanone → HCID 11577394, compound
Reaction equation
[Cl:1][c:2]1[c:3]([C:17](=[O:18])[c:19]2[c:20]([CH3:39])[cH:21][cH:22][c:23](-[c:25]3[n:26][n:27][n:28]([CH2:30][CH2:31][O:32][CH:33]4[O:34][CH2:35][CH2:36][CH2:37][CH2:38]4)[cH:29]3)[cH:24]2)[cH:4][cH:5][c:6]([NH:8][c:9]2[c:10]([F:16])[cH:11][c:12]([F:15])[cH:13][cH:14]2)[cH:7]1.[Cl:40][c:41]1[cH:42][c:43]([NH:44][c:45]2[cH:46][cH:47][c:48]([F:49])[cH:50][cH:51]2)[cH:52][cH:53][c:54]1[C:55]([c:56]1[cH:57][c:58]([C:59]#[CH:60])[cH:61][cH:62][c:63]1[CH3:64])=[O:65].[N:66]([CH2:67][CH2:68][O:69][CH:70]1[CH2:71][CH2:72][CH2:73][CH2:74][O:75]1)=[N+:76]=[N-:77]>>[Cl:1][c:2]1[c:3]([C:17](=[O:18])[c:19]2[c:20]([CH3:39])[cH:21][cH:22][c:23](-[c:25]3[n:26][n:27][n:28]([CH2:30][CH2:31][O:32][CH:33]4[O:34][CH2:35][CH2:36][CH2:37][CH2:38]4)[cH:29]3)[cH:24]2)[cH:4][cH:5][c:6]([NH:8][c:9]2[cH:10][cH:11][c:12]([F:15])[cH:13][cH:14]2)[cH:7]1Participants
4
Sources & evidence
- ORD record
- ord-7f1b97a06379413e80a864bb3c09283a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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