Ethanol → 2-(4'-Bromophenyl)aniline
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([B:8]([OH:9])[OH:10])[cH:6][cH:7]1.[C:11](=[O:12])([O-:13])[O-:14].[CH3:25][CH2:26][OH:27].[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[I:17][c:18]1[c:19]([NH2:20])[cH:21][cH:22][cH:23][cH:24]1.[Na+:15].[Na+:16].[OH2:112].[Pd:35].[c:36]1([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)[cH:50][cH:51][cH:52][cH:53][cH:54]1.[c:55]1([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)[cH:69][cH:70][cH:71][cH:72][cH:73]1.[c:74]1([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)[cH:88][cH:89][cH:90][cH:91][cH:92]1.[c:93]1([P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[cH:107][cH:108][cH:109][cH:110][cH:111]1>>[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:18]2[c:19]([NH2:20])[cH:21][cH:22][cH:23][cH:24]2)[cH:6][cH:7]1Participants
10
Sources & evidence
- ORD record
- ord-d3198a1708eb4c908b4494e58afdabaa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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