Ethyl Acetate → 2,5-Dichloro-3-[(6-chloro-2-fluoro-3-methylphenyl)oxy]benzonitrile
Reaction equation
[Br:1][c:2]1[c:3]([Cl:19])[c:4]([O:9][c:10]2[c:11]([Cl:18])[cH:12][cH:13][c:14]([CH3:17])[c:15]2[F:16])[cH:5][c:6]([Cl:8])[cH:7]1.[C:20](#[N:21])[Zn:22][C:23]#[N:24].[CH3:25][CH2:26][O:27][C:28]([CH3:29])=[O:30].[cH:31]1[cH:32][cH:33][c:34]([P:35]([Pd:36]([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([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)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[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)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[cH:106][cH:107]1>>[c:2]1([C:20]#[N:21])[c:3]([Cl:19])[c:4]([O:9][c:10]2[c:11]([Cl:18])[cH:12][cH:13][c:14]([CH3:17])[c:15]2[F:16])[cH:5][c:6]([Cl:8])[cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-e6bfcca7cb054da884dc70f86fb7df2c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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