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Acetate → 1-(2-Ethyl-4-methylphenyl)-4-(toluene-4-sulfonyl)piperazine

HRID 295703
Notes
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Reaction equation

HRID 295703 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH2:24][CH3:25])[c:5]([N:8]2[CH2:9][CH2:10][N:11]([S:14](=[O:15])(=[O:16])[c:17]3[cH:18][cH:19][c:20]([CH3:23])[cH:21][cH:22]3)[CH2:12][CH2:13]2)[cH:6][cH:7]1.[C:61]([O-:62])(=[O:63])[CH3:64].[C:66]([O-:67])(=[O:68])[CH3:69].[CH3:26][B:27]([OH:28])[OH:29].[CH:30]1([P:31]([CH:32]2[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]2-[c:44]2[c:45]([O:46][CH3:47])[cH:48][cH:49][cH:50][c:51]2[O:52][CH3:53])[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]1.[F-:59].[K+:60].[O:71]1[CH2:72][CH2:73][CH2:74][CH2:75]1.[OH2:70].[Pd+2:65]>>[c:2]1([CH3:26])[cH:3][c:4]([CH2:24][CH3:25])[c:5]([N:8]2[CH2:9][CH2:10][N:11]([S:14](=[O:15])(=[O:16])[c:17]3[cH:18][cH:19][c:20]([CH3:23])[cH:21][cH:22]3)[CH2:12][CH2:13]2)[cH:6][cH:7]1
ParticipantsSources & evidenceReaction notes

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium CationHCID 962WaterHCID 8028TetrahydrofuranHCID 28179Fluoride IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 139377Methylboronic Acid
HCID 11269872
2-Dicyclohexylphosphino-2',6'-dimethoxybiphenyl
HCID 673813351-(4-Bromo-2-ethylphenyl)-4-(toluene-4-sulfonyl)piperazine

Product 1

HCID 673810161-(2-Ethyl-4-methylphenyl)-4-(toluene-4-sulfonyl)piperazine

Sources & evidence

ORD record
ord-3a7e7d5ffdc648f99a40263a04e16d8f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes