Sodium ion → HCID 66749464, compound
Reaction equation
[Br:1][c:2]1[c:3]([NH2:8])[n:4][cH:5][cH:6][cH:7]1.[C:47](=[O:48])([O-:49])[O-:50].[CH3:53][O:54][CH2:55][CH2:56][O:57][CH3:58].[CH3:9][C:10]1([CH3:11])[C:12]([CH3:13])([CH3:14])[O:15][B:16]([c:17]2[cH:18][cH:19][c:20]([B:23]3[NH:24][c:25]4[c:26]5[c:27]([cH:29][cH:30][cH:31][c:32]5[cH:33][cH:34][cH:35]4)[NH:28]3)[cH:21][cH:22]2)[O:36]1.[Na+:51].[Na+:52].[OH2:37].[OH2:38].[OH2:39].[OH2:40].[OH2:41].[OH2:42].[OH2:43].[OH2:44].[OH2:45].[OH2:46].[OH2:59].[cH:60]1[cH:61][cH:62][c:63]([P:64]([Pd:65]([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[P:104]([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)([c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[cH:135][cH:136]1>>[c:2]1(-[c:17]2[cH:18][cH:19][c:20]([B:23]3[NH:24][c:25]4[c:26]5[c:27]([cH:29][cH:30][cH:31][c:32]5[cH:33][cH:34][cH:35]4)[NH:28]3)[cH:21][cH:22]2)[c:3]([NH2:8])[n:4][cH:5][cH:6][cH:7]1Participants
8
Sources & evidence
- ORD record
- ord-d03437e58e17432e9c4b2780fd69c9d3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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