HCID 178438945, compound → 2-[[3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-1-methyl-2-oxo-7-(1-phenylpropyl)-8,9-dihydro-6H-pyrido[4,3-g][1,4]benzoxazine-8-carbonyl]amino]-3-[4-(4-fluorophenyl)phenyl]propanoic acid
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]([F:50])[cH:51][cH:52]2)[cH:53][cH:54]1.[CH3:55][O:56][C:57]([CH:58]([CH2:59][c:60]1[cH:61][cH:62][c:63](-[c:66]2[cH:67][cH:68][c:69]([F:72])[cH:70][cH:71]2)[cH:64][cH:65]1)[NH:73][C:74](=[O:75])[CH:76]1[N:77]([CH:108]([CH2:109][CH3:110])[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[CH2:78][c:79]2[cH:80][c:81]3[c:86]([cH:87][c:88]2[CH2:89]1)[N:85]([CH3:90])[C:84](=[O:91])[CH:83]([c:92]1[cH:93][cH:94][c:95]([O:98][CH2:99][c:100]2[cH:101][c:102]([Cl:107])[c:103]([Cl:106])[cH:104][cH:105]2)[cH:96][cH:97]1)[O:82]3)=[O:117]>>[O:56]=[C:57]([CH:58]([CH2:59][c:60]1[cH:61][cH:62][c:63](-[c:66]2[cH:67][cH:68][c:69]([F:72])[cH:70][cH:71]2)[cH:64][cH:65]1)[NH:73][C:74](=[O:75])[CH:76]1[N:77]([CH:108]([CH2:109][CH3:110])[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[CH2:78][c:79]2[cH:80][c:81]3[c:86]([cH:87][c:88]2[CH2:89]1)[N:85]([CH3:90])[C:84](=[O:91])[CH:83]([c:92]1[cH:93][cH:94][c:95]([O:98][CH2:99][c:100]2[cH:101][c:102]([Cl:107])[c:103]([Cl:106])[cH:104][cH:105]2)[cH:96][cH:97]1)[O:82]3)[OH:117]Participants
3
Reactant 2
Product 1
Sources & evidence
- ORD record
- ord-a1309db559bd4e25b19ee8543dfda3fd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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