1,4-Dioxane → 4-fluoro-3-[2-oxo-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetyl]-1H-pyrrolo[2,3-c]pyridine-7-carbonitrile
Reaction equation
[Br:1][c:2]1[n:3][cH:4][c:5]([F:32])[c:6]2[c:7]1[nH:8][cH:9][c:10]2[C:11]([C:12](=[O:13])[N:14]1[CH2:15][CH2:16][N:17]([c:20]2[n:21][n:22][n:23][n:24]2-[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH2:18][CH2:19]1)=[O:31].[CH2:33]([Sn:34]([CH2:35][CH2:36][CH2:37][CH3:38])([CH2:39][CH2:40][CH2:41][CH3:42])[C:46]#[N:47])[CH2:43][CH2:44][CH3:45].[CH2:48]1[O:49][CH2:50][CH2:51][O:52][CH2:53]1.[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>>[c:2]1([C:46]#[N:47])[n:3][cH:4][c:5]([F:32])[c:6]2[c:7]1[nH:8][cH:9][c:10]2[C:11]([C:12](=[O:13])[N:14]1[CH2:15][CH2:16][N:17]([c:20]2[n:21][n:22][n:23][n:24]2-[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH2:18][CH2:19]1)=[O:31]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-669b8b3bf0ab4e5fa8149cf04a4a02ae
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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