4-(3-Chloro-4-cyano-phenoxy)-2,2-dimethyl-2,3-dihydro-benzofuran-6-carboxylic acid (1-methyl-1H-pyrazol-3-yl)-amide → HCID 178480464, compound
Reaction equation
[CH3:1][n:2]1[n:3][c:4]([NH:7][C:8](=[O:9])[c:10]2[cH:11][c:12]3[c:13]([c:19]([O:21][c:22]4[cH:23][c:24]([F:32])[c:25]([C:28]([NH:29][OH:30])=[NH:31])[cH:26][cH:27]4)[cH:20]2)[CH2:14][C:15]([CH3:17])([CH3:18])[O:16]3)[cH:5][cH:6]1.[CH3:33][n:34]1[cH:35][cH:36][c:37]([NH:38][C:39]([c:40]2[cH:41][c:42]([O:43][c:44]3[cH:45][cH:46][c:47]([C:48]#[N:49])[c:50]([Cl:62])[cH:51]3)[c:52]3[c:58]([cH:59]2)[O:57][C:54]([CH3:55])([CH3:56])[CH2:53]3)=[O:60])[n:61]1>>[CH3:1][n:2]1[n:3][c:4]([NH:7][C:8](=[O:9])[c:10]2[cH:11][c:12]3[c:13]([c:19]([O:21][c:22]4[cH:23][c:24]([Cl:62])[c:25]([C:28]([NH:29][OH:30])=[NH:31])[cH:26][cH:27]4)[cH:20]2)[CH2:14][C:15]([CH3:17])([CH3:18])[O:16]3)[cH:5][cH:6]1Participants
3
Sources & evidence
- ORD record
- ord-4094d6d6ff8b4a8bb131ac93eb2d5639
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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