Acetate → tert-Butyl [1-(4-chlorobenzyl)-7-{3-[(propylsulfonyl)amino]propyl}-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate

HRID 1546965Notes

Reaction equation

HRID 1546965 reaction equation
[C:73](=[O:74])([O-:75])[O-:76].[C:90]([O-:91])(=[O:92])[CH3:93].[C:95]([O-:96])(=[O:97])[CH3:98].[CH2:10]([CH:11]=[CH2:12])[NH:13][S:14](=[O:15])(=[O:16])[CH2:17][CH2:18][CH3:19].[CH3:84][CH2:85][O:86][C:87](=[O:88])[CH3:89].[CH:1]12[CH2:2][CH2:3][CH2:4][CH:5]([BH:6]1)[CH2:7][CH2:8][CH2:9]2.[Cs+:77].[Cs+:78].[F:20][C:21]([F:22])([F:23])[S:24]([O:25][c:26]1[cH:27][c:28]2[c:33]([cH:34][cH:35]1)[CH2:32][CH2:31][CH:30]([NH:36][C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[CH:29]2[CH2:44][c:45]1[cH:46][cH:47][c:48]([Cl:51])[cH:49][cH:50]1)(=[O:52])=[O:53].[O:79]1[CH2:80][CH2:81][CH2:82][CH2:83]1.[O:99]1[CH2:100][CH2:101][O:102][CH2:103][CH2:104]1.[Pd+2:94].[c:54]1([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[cH:68][cH:69][cH:70][cH:71][cH:72]1>>[CH2:10]([CH2:11][CH2:12][c:26]1[cH:27][c:28]2[c:33]([cH:34][cH:35]1)[CH2:32][CH2:31][CH:30]([NH:36][C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[CH:29]2[CH2:44][c:45]1[cH:46][cH:47][c:48]([Cl:51])[cH:49][cH:50]1)[NH:13][S:14](=[O:15])(=[O:16])[CH2:17][CH2:18][CH3:19]

Participants

12

Reactant 11

HCID 175Acetate2×HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 789669-Borabicyclo(3.3.1)nonaneHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 237363N-allylpropane-1-sulfonamideHCID 574672047-(Tert-butoxycarbonylamino)-8-(4-chlorobenzyl)-5,6,7,8-tetrahydronaphthalen-2-yl trifluoromethanesulfonate

Product 1

HCID 59547819tert-Butyl [1-(4-chlorobenzyl)-7-{3-[(propylsulfonyl)amino]propyl}-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate

Sources & evidence

ORD record
ord-40e5995325a9400aa7f4ae2000cc9a00
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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