Sodium ion → 1-[3-(3-Thienyl)phenyl]piperazine

HRID 1546474

Reaction equation

HRID 1546474 reaction equation
[Br:1][c:2]1[cH:3][c:4]([N:8]2[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[cH:5][cH:6][cH:7]1.[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[Na+:22].[Na+:23].[O-:24][C:25](=[O:26])[O-:27].[OH2:112].[cH:35]1[cH:36][cH:37][c:38]([P:39]([Pd:40]([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([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)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[cH:110][cH:111]1.[s:14]1[cH:15][c:16]([B:19]([OH:20])[OH:21])[cH:17][cH:18]1>>[c:2]1(-[c:16]2[cH:15][s:14][cH:18][cH:17]2)[cH:3][c:4]([N:8]2[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 581760Thiophene-3-boronic acidHCID 27571541-(3-Bromophenyl)piperazineHCID 178420554HCID 178420554, compound

Product 1

HCID 589851401-[3-(3-Thienyl)phenyl]piperazine

Sources & evidence

ORD record
ord-70d83671b7904f4a84d8a57e24c8671f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Linked notes

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