Sodium ion → 6-[4-[4-(5-Methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH:9]3[CH:10]([CH2:11][CH2:12]2)[CH2:13][N:14]([CH3:16])[CH2:15]3)[cH:6][cH:7]1.[CH3:77][C:78]([CH3:79])([O-:80])[CH3:81].[CH3:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[N:17]1([c:23]2[n:24][cH:25][c:26]([C:27]#[N:28])[cH:29][cH:30]2)[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]1.[Na+:82].[O:111]=[C:112]([CH:113]=[CH:114][c:115]1[cH:116][cH:117][cH:118][cH:119][cH:120]1)[CH:121]=[CH:122][c:123]1[cH:124][cH:125][cH:126][cH:127][cH:128]1.[O:129]=[C:130]([CH:131]=[CH:132][c:133]1[cH:134][cH:135][cH:136][cH:137][cH:138]1)[CH:139]=[CH:140][c:141]1[cH:142][cH:143][cH:144][cH:145][cH:146]1.[O:93]=[C:94]([CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1)[CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1.[OH2:90].[Pd:91].[Pd:92].[cH:31]1[cH:32][cH:33][c:34]([P:35]([c:36]2[cH:37][cH:38][c:39]3[c:40]([cH:41][cH:42][cH:43][cH:44]3)[c:45]2-[c:46]2[c:47]3[c:48]([cH:49][cH:50][cH:51][cH:52]3)[cH:53][cH:54][c:55]2[P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76]1>>[c:2]1([N:20]2[CH2:19][CH2:18][N:17]([c:23]3[n:24][cH:25][c:26]([C:27]#[N:28])[cH:29][cH:30]3)[CH2:22][CH2:21]2)[cH:3][cH:4][c:5]([N:8]2[CH:9]3[CH:10]([CH2:11][CH2:12]2)[CH2:13][N:14]([CH3:16])[CH2:15]3)[cH:6][cH:7]1Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-bf4ffd75169046dcade4150a5dbeca2f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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