Sodium ion → 3-Cyclobutyl-7-{[5-(3,5-dimethyl-4-isoxazolyl)-2-pyridinyl]oxy}-2,3,4,5-tetrahydro-1H-3-benzazepine
Reaction equation
[CH3:24][c:25]1[n:26][o:27][c:28]([CH3:35])[c:29]1[C:30]([B:31]([OH:32])[OH:33])=[O:34].[CH3:42][O:43][CH2:44][CH2:45][O:46][CH3:47].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH:1]1([N:5]2[CH2:6][CH2:7][c:8]3[c:9]([cH:12][cH:13][c:14]([O:16][c:17]4[n:18][cH:19][c:20]([I:23])[cH:21][cH:22]4)[cH:15]3)[CH2:10][CH2:11]2)[CH2:2][CH2:3][CH2:4]1.[Na+:36].[Na+:37].[O-:38][C:39](=[O:40])[O-:41].[cH:54]1[cH:55][cH:56][c:57]([P:58]([Pd:59]([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([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)([P:79]([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)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[P:98]([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)[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)[cH:129][cH:130]1>>[CH:1]1([N:5]2[CH2:6][CH2:7][c:8]3[c:9]([cH:12][cH:13][c:14]([O:16][c:17]4[n:18][cH:19][c:20](-[c:29]5[c:25]([CH3:24])[n:26][o:27][c:28]5[CH3:35])[cH:21][cH:22]4)[cH:15]3)[CH2:10][CH2:11]2)[CH2:2][CH2:3][CH2:4]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-f6390a75d548436fa94dee4aa7c85cd8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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