Acetate → 3-(2-Benzyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenylamine

HRID 1210788Notes

Reaction equation

HRID 1210788 reaction equation
[C:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)=[NH:44].[C:45](=[O:46])([O-:47])[O-:48].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH:9]2[CH2:10][CH2:11][CH2:12][C:13]([c:17]3[cH:18][c:19]([O:23][S:24]([C:25]([F:26])([F:27])[F:28])(=[O:29])=[O:30])[cH:20][cH:21][cH:22]3)([CH2:14][CH2:15]1)[CH2:16]2.[CH2:98]1[O:99][CH2:100][CH2:101][CH2:102]1.[ClH:97].[Cs+:49].[Cs+:50].[O-:104][C:105]([CH3:106])=[O:107].[O-:108][C:109]([CH3:110])=[O:111].[Pd+2:103].[cH:51]1[cH:52][cH:53][c:54]([P:55]([c:56]2[cH:57][cH:58][c:59]3[c:60]([cH:61][cH:62][cH:63][cH:64]3)[c:65]2-[c:66]2[c:67]3[c:68]([cH:69][cH:70][cH:71][cH:72]3)[cH:73][cH:74][c:75]2[P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[cH:95][cH:96]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH:9]2[CH2:10][CH2:11][CH2:12][C:13]([c:17]3[cH:18][c:19]([NH2:44])[cH:20][cH:21][cH:22]3)([CH2:14][CH2:15]1)[CH2:16]2

Participants

10

Reactant 9

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 136809Benzophenone imineHCID 634876Binap, (A+-)-HCID 86594615Trifluoro-methanesulfonic acid 3-(2-benzyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenyl ester

Product 1

HCID 220645843-(2-Benzyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenylamine

Sources & evidence

ORD record
ord-727c403a072648dc88fcf1e641394ad8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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