HCID 66931489, 화합물 → (RS)-[5-(3-Amino-phenyl)-5-methyl-5,6-dihydro-2H-[1,4]oxazin-3-yl]-[bis-(4-methoxy-phenyl)-phenyl-methyl]-amine

반응식

[C:39]([c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)([c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)=[N:52][c:53]1[cH:54][c:55]([C:59]2([CH3:89])[N:60]=[C:61]([NH:65][C:66]([c:67]3[cH:68][cH:69][cH:70][cH:71][cH:72]3)([c:73]3[cH:74][cH:75][c:76]([O:79][CH3:80])[cH:77][cH:78]3)[c:81]3[cH:82][cH:83][c:84]([O:87][CH3:88])[cH:85][cH:86]3)[CH2:62][O:63][CH2:64]2)[cH:56][cH:57][cH:58]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:7]([NH:8][C:9]2=[N:22][C:13]([c:14]3[cH:15][cH:16][cH:17][c:18]([Br:19])[cH:20]3)([CH3:21])[CH2:12][O:11][CH2:10]2)([c:23]2[cH:24][cH:25][c:26]([O:27][CH3:28])[cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:37][cH:38]1>>[NH2:52][c:53]1[cH:54][c:55]([C:59]2([CH3:89])[N:60]=[C:61]([NH:65][C:66]([c:67]3[cH:68][cH:69][cH:70][cH:71][cH:72]3)([c:73]3[cH:74][cH:75][c:76]([O:79][CH3:80])[cH:77][cH:78]3)[c:81]3[cH:82][cH:83][c:84]([O:87][CH3:88])[cH:85][cH:86]3)[CH2:62][O:63][CH2:64]2)[cH:56][cH:57][cH:58]1

참가 물질

반응물 2

HCID 66931489HCID 66931489, 화합물

HCID 86651222(RS)-{5-[3-(benzhydrylidene-amino)-phenyl]-5-methyl-5,6-dihydro-2H-[1,4]oxazin-3-yl}-[bis-(4-methoxy-phenyl)-phenyl-methyl]-amine

생성물 1

HCID 66931557(RS)-[5-(3-Amino-phenyl)-5-methyl-5,6-dihydro-2H-[1,4]oxazin-3-yl]-[bis-(4-methoxy-phenyl)-phenyl-methyl]-amine

출처 및 근거

ORD 기록: ord-af85f94979c5494097e3cb61f8304789
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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