Benzene → HCID 178488631, compound
Reaction equation
[C:55](=[O:56])([O-:57])[O-:58].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[CH:18]([C:19]([C:20](=[O:21])[O:22][CH3:23])([O:24][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[NH2:32])[C:33]#[C:34][c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[cH:13][cH:14]2)[cH:7][cH:8]1.[CH3:41][O:42][c:43]1[cH:44][cH:45][c:46]([B:47]([OH:48])[OH:49])[cH:50][cH:51]1.[CH3:52][CH2:53][OH:54].[Na+:59].[Na+:60].[OH2:144].[cH:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[cH:67]1[cH:68][cH:69][c:70]([P:71]([Pd:72]([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[P:111]([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)([c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[c:136]2[cH:137][cH:138][cH:139][cH:140][cH:141]2)[cH:142][cH:143]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[CH:18]([C:19]([C:20](=[O:21])[OH:22])([O:24][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[NH2:32])[C:33]#[C:34][c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[cH:13][cH:14]2)[cH:7][cH:8]1Participants
9
Sources & evidence
- ORD record
- ord-b39b4132f030461c83a46aa771322d8d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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