Benzene → HCID 19709967, compound
Reaction equation
[Cl:1][c:2]1[n:3][c:4]2[cH:5][cH:6][c:7]([O:21][CH3:22])[cH:8][c:9]2[c:10]([CH2:12][CH2:13][NH:14][C:15]([C:16]([F:17])([F:18])[F:19])=[O:20])[cH:11]1.[Na+:33].[Na+:34].[O-:35][C:36](=[O:37])[O-:38].[OH2:39].[c:23]1([O:29][B:30]([OH:31])[OH:32])[cH:24][cH:25][cH:26][cH:27][cH:28]1.[cH:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[cH:121][cH:122]1>>[c:2]1(-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[n:3][c:4]2[cH:5][cH:6][c:7]([O:21][CH3:22])[cH:8][c:9]2[c:10]([CH2:12][CH2:13][NH:14][C:15]([C:16]([F:17])([F:18])[F:19])=[O:20])[cH:11]1Participants
8
Sources & evidence
- ORD record
- ord-16b9d82fec244fef8255abec2e2f92b8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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