Water → tert-Butyl 4-(3-(tert-butoxycarbonylamino)-4-(methoxycarbonyl)phenyl)piperazine-1-carboxylate

HRID 2336882Notes

Reaction equation

HRID 2336882 reaction equation
[Br:1][c:2]1[cH:3][c:4]([NH:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1.[C:67](=[O:68])([O-:69])[O-:70].[C:80]([O:81][Pd:82][O:83][C:84](=[O:85])[CH3:86])(=[O:87])[CH3:88].[CH3:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[CH3:89][CH2:90][O:91][C:92](=[O:93])[CH3:94].[CH:33]1([P:34]([CH:35]2[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2-[c:47]2[c:48]([CH:49]([CH3:50])[CH3:51])[cH:52][c:53]([CH:54]([CH3:55])[CH3:56])[cH:57][c:58]2[CH:59]([CH3:60])[CH3:61])[CH2:62][CH2:63][CH2:64][CH2:65][CH2:66]1.[Cs+:71].[Cs+:72].[N:20]1([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]1.[OH2:95]>>[c:2]1([N:23]2[CH2:22][CH2:21][N:20]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[CH2:25][CH2:24]2)[cH:3][c:4]([NH:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1

Participants

10

Reactant 9

HCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 143452tert-Butyl piperazine-1-carboxylateHCID 167845palladium(II) acetateHCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenylHCID 66692382Methyl 4-bromo-2-((tert-butoxycarbonyl)amino)benzoate

Product 1

HCID 66695921tert-Butyl 4-(3-(tert-butoxycarbonylamino)-4-(methoxycarbonyl)phenyl)piperazine-1-carboxylate

Sources & evidence

ORD record
ord-df63dc5b14a34274a49712d658209946
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…