Benzene → HCID 59015809, compound
Reaction equation
[C:19](=[O:20])([O-:21])[O-:22].[CH3:31][CH2:32][O:33][C:34](=[O:35])[CH3:36].[NH2:10][c:11]1[cH:12][c:13]([Cl:18])[n:14][cH:15][c:16]1[CH3:17].[Na+:23].[Na+:24].[OH:1][B:2]([OH:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[cH:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[cH:37]1[cH:38][cH:39][c:40]([P:41]([Pd:42]([P:43]([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)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([P:62]([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)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[P:81]([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)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[cH:112][cH:113]1>>[c:4]1(-[c:13]2[cH:12][c:11]([NH2:10])[c:16]([CH3:17])[cH:15][n:14]2)[cH:5][cH:6][cH:7][cH:8][cH:9]1Participants
8
Sources & evidence
- ORD record
- ord-cc057f7b23bd4d15a3bd9fc960a3fb5d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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