Sodium ion → HCID 9871975, compound
Reaction equation
[CH2:19]([CH3:20])[N:21]([C:22]([c:23]1[cH:24][cH:25][c:26]([Br:29])[cH:27][cH:28]1)=[O:30])[CH2:31][CH3:32].[CH3:1][O:2][c:3]1[cH:4][c:5]([NH:9][CH:10]2[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][CH3:18])[CH2:14][CH2:15]2)[cH:6][cH:7][cH:8]1.[CH3:33][C:34]([CH3:35])([O-:36])[CH3:37].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH:48](=[CH:49][C:50]([CH:51]=[CH:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)=[O:59])[c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[CH:66](=[CH:67][C:68]([CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1)=[O:77])[c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[CH:84](=[CH:85][C:86]([CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1)=[O:95])[c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1.[Na+:38].[Pd:46].[Pd:47]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([N:9]([CH:10]2[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][CH3:18])[CH2:14][CH2:15]2)[c:26]2[cH:25][cH:24][c:23]([C:22]([N:21]([CH2:19][CH3:20])[CH2:31][CH3:32])=[O:30])[cH:28][cH:27]2)[cH:6][cH:7][cH:8]1Participants
8
Sources & evidence
- ORD record
- ord-a80caf2791d14ab0ab2bd715d15a81b9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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