methyl 2-[[3-(4-hydroxyphenyl)-1-methyl-2-oxo-7-(1-phenylpropyl)-8,9-dihydro-6H-pyrido[4,3-g][1,4]benzoxazine-8-carbonyl]amino]-3-[4-(4-methoxyphenyl)phenyl]propanoate → HCID 178438950, compound
Reaction equation
[CH3:1][O:2][C:3](=[O:4])[CH:5]([NH:6][C:7]([CH:8]1[CH2:9][c:10]2[cH:11][c:12]3[c:13]([cH:27][c:28]2[CH2:29][N:30]1[CH:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[CH2:38][CH3:39])[O:14][CH:15]([c:16]1[cH:17][cH:18][c:19]([OH:20])[cH:21][cH:22]1)[C:23](=[O:24])[N:25]3[CH3:26])=[O:40])[CH2:41][c:42]1[cH:43][cH:44][c:45](-[c:46]2[cH:47][cH:48][c:49]([O:50][CH3:51])[cH:52][cH:53]2)[cH:54][cH:55]1.[CH3:56][O:57][C:58]([CH:59]([CH2:60][c:61]1[cH:62][cH:63][c:64](-[c:67]2[cH:68][cH:69][c:70]([O:73][CH3:74])[cH:71][cH:72]2)[cH:65][cH:66]1)[NH:75][C:76](=[O:77])[CH:78]1[N:79]([CH:110]([CH2:111][CH3:112])[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[CH2:80][c:81]2[cH:82][c:83]3[c:88]([cH:89][c:90]2[CH2:91]1)[N:87]([CH3:92])[C:86](=[O:93])[CH:85]([c:94]1[cH:95][cH:96][c:97]([O:100][CH2:101][c:102]2[cH:103][c:104]([Cl:109])[c:105]([Cl:108])[cH:106][cH:107]2)[cH:98][cH:99]1)[O:84]3)=[O:119]>>[O:57]=[C:58]([CH:59]([CH2:60][c:61]1[cH:62][cH:63][c:64](-[c:67]2[cH:68][cH:69][c:70]([O:73][CH3:74])[cH:71][cH:72]2)[cH:65][cH:66]1)[NH:75][C:76](=[O:77])[CH:78]1[N:79]([CH:110]([CH2:111][CH3:112])[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[CH2:80][c:81]2[cH:82][c:83]3[c:88]([cH:89][c:90]2[CH2:91]1)[N:87]([CH3:92])[C:86](=[O:93])[CH:85]([c:94]1[cH:95][cH:96][c:97]([O:100][CH2:101][c:102]2[cH:103][c:104]([Cl:109])[c:105]([Cl:108])[cH:106][cH:107]2)[cH:98][cH:99]1)[O:84]3)[OH:119]Participants
3
Sources & evidence
- ORD record
- ord-ab31352e8df14e3fbc7ca17ccf4fcf76
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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