Carbonate Ion → 1-(3-Phenylsulfonylphenyl)-4-tert-butyloxycarbonylpiperazine

HRID 318441Notes

Reaction equation

HRID 318441 reaction equation
[C:47](=[O:48])([O-:49])[O-:50].[C:69]([CH3:70])([CH3:71])([CH3:72])[O:73][C:74](=[O:75])[N:76]1[CH2:77][CH2:78][NH:79][CH2:80][CH2:81]1.[Cs+:51].[Cs+:52].[O:82]1[CH2:83][CH2:84][O:85][CH2:86][CH2:87]1.[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:14][cH:15][cH:16][cH:17]3)[c:18]2-[c:19]2[c:20]3[c:21]([cH:22][cH:23][cH:24][cH:25]3)[cH:26][cH:27][c:28]2[P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1.[c:53]1([S:59](=[O:60])(=[O:61])[c:62]2[cH:63][c:64]([Br:68])[cH:65][cH:66][cH:67]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[c:53]1([S:59](=[O:60])(=[O:61])[c:62]2[cH:63][c:64]([N:79]3[CH2:78][CH2:77][N:76]([C:74]([O:73][C:69]([CH3:70])([CH3:71])[CH3:72])=[O:75])[CH2:81][CH2:80]3)[cH:65][cH:66][cH:67]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1

Participants

7

Reactant 6

HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 143452tert-Butyl piperazine-1-carboxylateHCID 634876Binap, (A+-)-HCID 640920Benzene, 1-bromo-3-(phenylsulfonyl)-

Product 1

HCID 688047411-(3-Phenylsulfonylphenyl)-4-tert-butyloxycarbonylpiperazine

Sources & evidence

ORD record
ord-0c3b98e3d4274f01a873c9efaa983b85
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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