Benzene → HCID 23549505, compound
Reaction equation
[Br:1][C:2]1=[CH:6][CH2:5][CH2:4][CH:3]1[CH2:7][CH:8]=[O:9].[C:10](=[O:11])([O-:12])[O-:13].[CH3:25][CH2:26][O:27][CH2:28][CH3:29].[CH3:36][CH2:37][OH:38].[Na+:14].[Na+:15].[OH:16][B:17]([OH:18])[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1.[cH:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[P:83]([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)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[cH:114][cH:115]1>>[C:2]1([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)=[CH:6][CH2:5][CH2:4][CH:3]1[CH2:7][CH:8]=[O:9]Participants
9
Sources & evidence
- ORD record
- ord-c392d8b46b6c44ae8ae18c57f6132b0b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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