Benzene → HCID 20099815, compound
Reaction equation
[C:9](=[O:10])([O-:11])[O-:12].[CH3:31][CH2:32][OH:33].[Cl:15][c:16]1[c:17]([B:22]([OH:23])[OH:24])[cH:18][cH:19][cH:20][cH:21]1.[NH2:1][c:2]1[n:3][cH:4][c:5]([Br:8])[cH:6][cH:7]1.[Na+:13].[Na+:14].[Pd:34].[c:35]1([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:49][cH:50][cH:51][cH:52][cH:53]1.[c:54]1([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[cH:68][cH:69][cH:70][cH:71][cH:72]1.[c:73]1([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[cH:87][cH:88][cH:89][cH:90][cH:91]1.[c:92]1([P:93]([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][cH:108][cH:109][cH:110]1.[cH:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[NH2:1][c:2]1[n:3][cH:4][c:5](-[c:17]2[c:16]([Cl:15])[cH:21][cH:20][cH:19][cH:18]2)[cH:6][cH:7]1Participants
9
Sources & evidence
- ORD record
- ord-efa4e74bd2f947da9a024f34462e4982
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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