Bromide ion → 3,3'-Dichloro-5'-fluoropropiophenone
Reaction equation
[Br-:1].[Cl-:18].[Cl-:20].[Cl:11][CH2:12][CH2:13][C:14](=[O:15])[Cl:16].[Cl:2][c:3]1[cH:4][c:5]([Mg+:10])[cH:6][c:7]([F:9])[cH:8]1.[ClH:17].[O:98]1[CH2:99][CH2:100][CH2:101][CH2:102]1.[Zn+2:19].[cH:21]1[cH:22][cH:23][c:24]([P:25]([Pd:26]([P:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[cH:96][cH:97]1>>[Cl:2][c:3]1[cH:4][c:5]([C:14]([CH2:13][CH2:12][Cl:11])=[O:15])[cH:6][c:7]([F:9])[cH:8]1Participants
9
Sources & evidence
- ORD record
- ord-270490369dc144e3b16172a7917ada37
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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