Sodium ion → 2-(4-bromophenyl)benzonitrile
Reaction equation
[Br:10][c:11]1[cH:12][cH:13][c:14]([B:17]([OH:18])[OH:19])[cH:15][cH:16]1.[CH3:32][CH2:33][O:34][C:35](=[O:36])[CH3:37].[I:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][cH:8][cH:9]1.[Na+:20].[Na+:21].[O-:22][C:23](=[O:24])[O-:25].[O:26]1[CH2:27][CH2:28][O:29][CH2:30][CH2:31]1.[Pd:38].[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1.[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1.[c:77]1([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[cH:91][cH:92][cH:93][cH:94][cH:95]1.[c:96]1([P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[cH:110][cH:111][cH:112][cH:113][cH:114]1>>[c:2]1(-[c:14]2[cH:13][cH:12][c:11]([Br:10])[cH:16][cH:15]2)[c:3]([C:4]#[N:5])[cH:6][cH:7][cH:8][cH:9]1Participants
9
Sources & evidence
- ORD record
- ord-396d384f23dc42309e2bb5c531dbf599
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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