Benzyl {6-[(2-{4-[(biphenyl-2-ylcarbamoyl)oxy]piperidin-1-yl}ethyl)(methyl)amino]-6-oxohexyl}{-4-[methyl(N-methyl-beta-alanyl)amino]phenyl}carbamate → HCID 178484218, compound
Reaction equation
[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][O:10][C:11]([c:13]3[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]3)([CH2:20][CH2:21][N:22]3[CH2:23][CH2:24][C:25]4([CH:26]([O:34][CH2:35][C:36](=[O:37])[OH:38])[CH2:27][c:28]5[cH:29][cH:30][cH:31][cH:32][c:33]54)[CH2:39][CH2:40]3)[CH2:12]2)[cH:41][c:42]([C:44]([F:45])([F:46])[F:47])[cH:43]1)([F:48])[F:49].[c:50]1(-[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:51]([NH:56][C:57](=[O:58])[O:59][CH:60]2[CH2:61][CH2:62][N:63]([CH2:66][CH2:67][N:68]([C:69]([CH2:70][CH2:71][CH2:72][CH2:73][CH2:74][N:75]([C:76]([O:77][CH2:78][c:79]3[cH:80][cH:81][cH:82][cH:83][cH:84]3)=[O:85])[c:86]3[cH:87][cH:88][c:89]([N:92]([C:93]([CH2:94][CH2:95][NH:96][CH3:97])=[O:98])[CH3:99])[cH:90][cH:91]3)=[O:100])[CH3:101])[CH2:64][CH2:65]2)[cH:52][cH:53][cH:54][cH:55]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][O:10][C:11]([c:13]3[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]3)([CH2:20][CH2:21][N:22]3[CH2:23][CH2:24][C:25]4([CH:26]([O:34][CH2:35][C:36](=[O:37])[N:96]([CH2:95][CH2:94][C:93]([N:92]([c:89]5[cH:88][cH:87][c:86]([N:75]([CH2:74][CH2:73][CH2:72][CH2:71][CH2:70][C:69]([N:68]([CH2:67][CH2:66][N:63]6[CH2:62][CH2:61][CH:60]([O:59][C:57]([NH:56][c:51]7[c:50](-[c:102]8[cH:103][cH:104][cH:105][cH:106][cH:107]8)[cH:55][cH:54][cH:53][cH:52]7)=[O:58])[CH2:65][CH2:64]6)[CH3:101])=[O:100])[C:76]([O:77][CH2:78][c:79]6[cH:80][cH:81][cH:82][cH:83][cH:84]6)=[O:85])[cH:91][cH:90]5)[CH3:99])=[O:98])[CH3:97])[CH2:27][c:28]5[cH:29][cH:30][cH:31][cH:32][c:33]54)[CH2:39][CH2:40]3)[CH2:12]2)[cH:41][c:42]([C:44]([F:45])([F:46])[F:47])[cH:43]1)([F:48])[F:49]Participants
3
Sources & evidence
- ORD record
- ord-2af548d266424e42b002605b856defb2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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