Sodium ion → HCID 25054027, compound
Reaction equation
[C:39](=[O:40])([O-:41])[O-:42].[CH3:45][O:46][CH2:47][CH2:48][O:49][CH3:50].[Cl:1][c:2]1[cH:3][c:4]([C:26]#[N:27])[n:5][c:6]2[cH:7][c:8]([CH2:12][n:13]3[n:14][n:15][c:16]([C:18]([CH2:19][CH3:20])([C:21]([F:22])([F:23])[F:24])[OH:25])[cH:17]3)[cH:9][cH:10][c:11]12.[F:28][c:29]1[cH:30][c:31]([B:36]([OH:37])[OH:38])[cH:32][cH:33][c:34]1[F:35].[Na+:43].[Na+:44].[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[P:95]([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)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[c:2]1(-[c:31]2[cH:30][c:29]([F:28])[c:34]([F:35])[cH:33][cH:32]2)[cH:3][c:4]([C:26]#[N:27])[n:5][c:6]2[cH:7][c:8]([CH2:12][n:13]3[n:14][n:15][c:16]([C:18]([CH2:19][CH3:20])([C:21]([F:22])([F:23])[F:24])[OH:25])[cH:17]3)[cH:9][cH:10][c:11]12Participants
7
Sources & evidence
- ORD record
- ord-2f6b5f45b8cc474380f47df5efbc7068
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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