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Sodium Ion → tert-butyl 8-(cyclohexyloxy)-2,3-dihydropyrido[3,2-f][1,4]oxazepine-4(5H)-carboxylate

HRID 179221
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인쇄 미리보기

반응식

HRID 179221 반응식
[CH3:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1.[Cl:10][c:11]1[cH:12][cH:13][c:14]2[c:20]([n:21]1)[O:19][CH2:18][CH2:17][N:16]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:15]2.[H-:8].[Na+:9].[O:102]=[C:103]([CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1)[CH:112]=[CH:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1.[O:120]=[C:121]([CH:122]=[CH:123][c:124]1[cH:125][cH:126][cH:127][cH:128][cH:129]1)[CH:130]=[CH:131][c:132]1[cH:133][cH:134][cH:135][cH:136][cH:137]1.[O:84]=[C:85]([CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1)[CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1.[OH2:138].[OH:1][CH:2]1[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[Pd:82].[Pd:83].[cH:29]1[cH:30][cH:31][c:32]([P:33]([c:34]2[cH:35][cH:36][c:37]3[c:38]([cH:39][cH:40][cH:41][cH:42]3)[c:43]2-[c:44]2[c:45]3[c:46]([cH:47][cH:48][cH:49][cH:50]3)[cH:51][cH:52][c:53]2[P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74]1>>[O:1]([CH:2]1[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1)[c:11]1[cH:12][cH:13][c:14]2[c:20]([n:21]1)[O:19][CH2:18][CH2:17][N:16]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:15]2
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 923Sodium IonHCID 962WaterHCID 1140TolueneHCID 7966CyclohexanolHCID 23938Palladium2회HCID 95417Dibenzylidene acetone3회HCID 166653HydrideHCID 634876
Binap, (A+-)-
HCID 57356939Tert-butyl 8-chloro-2,3-dihydropyrido[3,2-F][1,4]oxazepine-4(5H)-carboxylate

생성물 1

HCID 68430226tert-butyl 8-(cyclohexyloxy)-2,3-dihydropyrido[3,2-f][1,4]oxazepine-4(5H)-carboxylate

출처 및 근거

ORD 기록
ord-f538dbd556624359aaa0a8a9ed91a0f0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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