(+)-3-(7-methyl-1H-indazol-5-yl)-2-{[4-(2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-piperidine-1-carbonyl]-amino}-propionic acid → HCID 178425595, compound
Reaction equation
[CH3:29][c:30]1[cH:31][c:32]([CH2:39][CH:40]([C:41](=[O:42])[OH:43])[NH:44][C:45](=[O:46])[N:47]2[CH2:48][CH2:49][CH:50]([N:53]3[C:54](=[O:63])[NH:55][c:56]4[cH:57][cH:58][cH:59][cH:60][c:61]4[CH2:62]3)[CH2:51][CH2:52]2)[cH:33][c:34]2[cH:35][n:36][nH:37][c:38]12.[CH3:64][c:65]1[cH:66][c:67]([CH2:68][CH:69]([NH:70][C:71]([N:72]2[CH2:73][CH2:74][CH:75]([c:76]3[c:77](=[O:78])[nH:79][c:80]4[c:81]([cH:82]3)[cH:83][cH:84][cH:85][cH:86]4)[CH2:87][CH2:88]2)=[O:89])[C:90]([NH:91][CH:92]([C:93](=[O:94])[N:95]2[CH2:96][CH2:97][N:98]([c:99]3[cH:100][cH:101][n:102][cH:103][cH:104]3)[CH2:105][CH2:106]2)[CH2:107][CH2:108][CH2:109][CH2:110][NH:111][C:112](=[O:113])[O:114][C:115]([CH3:116])([CH3:117])[CH3:118])=[O:119])[cH:120][c:121]2[c:122]1[nH:123][n:124][cH:125]2.[NH2:1][CH:2]([CH2:3][CH2:4][CH2:5][CH2:6][NH:7][C:8]([O:9][C:10]([CH3:11])([CH3:12])[CH3:13])=[O:14])[C:15]([N:16]1[CH2:17][CH2:18][N:19]([c:22]2[cH:23][cH:24][n:25][cH:26][cH:27]2)[CH2:20][CH2:21]1)=[O:28]>>[NH:1]([CH:2]([CH2:3][CH2:4][CH2:5][CH2:6][NH:7][C:8]([O:9][C:10]([CH3:11])([CH3:12])[CH3:13])=[O:14])[C:15]([N:16]1[CH2:17][CH2:18][N:19]([c:22]2[cH:23][cH:24][n:25][cH:26][cH:27]2)[CH2:20][CH2:21]1)=[O:28])[C:41]([CH:40]([CH2:39][c:32]1[cH:31][c:30]([CH3:29])[c:38]2[c:34]([cH:33]1)[cH:35][n:36][nH:37]2)[NH:44][C:45](=[O:46])[N:47]1[CH2:48][CH2:49][CH:50]([N:53]2[C:54](=[O:63])[NH:55][c:56]3[cH:57][cH:58][cH:59][cH:60][c:61]3[CH2:62]2)[CH2:51][CH2:52]1)=[O:42]Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-d4e3ab290f9d42ff83fae52051f32d3f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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