Benzene → HCID 178488632, compound
Reaction equation
[C:49](=[O:50])([O-:51])[O-:52].[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][CH3:25])[NH2:26])[C:27]#[C:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[cH:13][cH:14]2)[cH:7][cH:8]1.[CH3:35][O:36][c:37]1[cH:38][cH:39][c:40]([B:41]([OH:42])[OH:43])[cH:44][cH:45]1.[CH3:46][CH2:47][OH:48].[Na+:53].[Na+:54].[OH2:138].[cH:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[cH:61]1[cH:62][cH:63][c:64]([P:65]([Pd:66]([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([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)([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([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)[P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([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)[cH:136][cH:137]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][CH3:25])[NH2:26])[C:27]#[C:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[cH:13][cH:14]2)[cH:7][cH:8]1Participants
9
Sources & evidence
- ORD record
- ord-f9e2a8ef87fc42d785356f4642174e19
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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