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Acetate → {2-[3-(Benzhydrylidene-amino)-phenyl]-1-methyl-ethyl}-carbamic acid tert-butyl ester

HRID 212549
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HRID 212549 반응식
[C:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)=[NH:32].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH2:9][c:10]1[cH:11][c:12]([Br:16])[cH:13][cH:14][cH:15]1)[CH3:17])=[O:18].[C:85]([O-:86])(=[O:87])[CH3:88].[C:90]([O-:91])(=[O:92])[CH3:93].[CH3:33][C:34]([CH3:35])([O-:36])[CH3:37].[CH3:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[Na+:38].[Pd+2:89].[c:39]1([P:40]([c:41]2[c:42]([P:43]([c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]3)[c:56](-[c:57]3[c:58]4[c:59]([cH:60][cH:61][cH:62][cH:63]4)[cH:64][cH:65][cH:66]3)[c:67]3[c:68]([cH:69]2)[cH:70][cH:71][cH:72][cH:73]3)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH2:9][c:10]1[cH:11][c:12]([N:32]=[C:19]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:13][cH:14][cH:15]1)[CH3:17])=[O:18]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 175Acetate2회HCID 923Sodium IonHCID 1140TolueneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 136809Benzophenone imineHCID 45749132-Methylpropan-2-olateHCID 18630801Bis(diphenylphosphino)-1,1'-binaphthyl
HCID 69066642tert-butyl N-[1-(3-bromophenyl)propan-2-yl]carbamate

생성물 1

HCID 86600374{2-[3-(Benzhydrylidene-amino)-phenyl]-1-methyl-ethyl}-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-72512344c4cb47868ddc68edd20470e8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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