Hydrochloric Acid → 1-(5-Bromo-2-pyridinyl)-4-(phenylsulfonyl)piperazine

HRID 2343307Notes

Reaction equation

HRID 2343307 reaction equation
[Br:17][c:18]1[n:19][cH:20][c:21]([Br:24])[cH:22][cH:23]1.[CH3:130][OH:131].[CH3:132][c:133]1[cH:134][cH:135][cH:136][cH:137][cH:138]1.[CH3:25][C:26]([CH3:27])([O-:28])[CH3:29].[ClH:1].[Na+:30].[O:112]=[C:113]([CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1)[CH:122]=[CH:123][c:124]1[cH:125][cH:126][cH:127][cH:128][cH:129]1.[O:76]=[C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)[CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[O:94]=[C:95]([CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1)[CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[OH2:73].[Pd:74].[Pd:75].[c:2]1([S:8](=[O:9])(=[O:10])[N:11]2[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1.[c:31]1([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[c:40]3[c:64]([cH:65][cH:66][cH:67]2)[C:61]([CH3:62])([CH3:63])[c:43]2[c:42]([c:47]([P:48]([c:49]4[cH:50][cH:51][cH:52][cH:53][cH:54]4)[c:55]4[cH:56][cH:57][cH:58][cH:59][cH:60]4)[cH:46][cH:45][cH:44]2)[O:41]3)[cH:68][cH:69][cH:70][cH:71][cH:72]1>>[c:2]1([S:8](=[O:9])(=[O:10])[N:11]2[CH2:12][CH2:13][N:14]([c:18]3[n:19][cH:20][c:21]([Br:24])[cH:22][cH:23]3)[CH2:15][CH2:16]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1

Participants

12

Reactant 11

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 23938Palladium2×HCID 693532,5-DibromopyridineHCID 95417Dibenzylidene acetone3×HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 8087121-(Benzenesulfonyl)piperazineHCID 45749132-Methylpropan-2-olate

Product 1

HCID 375348861-(5-Bromo-2-pyridinyl)-4-(phenylsulfonyl)piperazine

Sources & evidence

ORD record
ord-c09623961a574da1b352e21dce693a9f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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