Hydrochloric Acid → benzyl 4-[[1-(1H-imidazol-2-yl)-3-methylbutyl]amino]-4-oxo-3-[3-(4-pyridin-4-ylphenyl)pyrrol-1-yl]butanoate
Reaction equation
[B-:77]([F:78])([F:79])([F:80])[F:81].[CH2:1]([O:2][C:3](=[O:4])[CH2:5][CH:6]([NH:7][C:8]([O:9][C:10]([CH3:11])([CH3:12])[CH3:13])=[O:14])[C:15]([NH:16][CH:17]([C:18](=[O:19])[NH:20][CH3:21])[C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[CH2:45]([c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[O:52][C:53]([CH2:54][CH:55]([C:56](=[O:57])[OH:58])[n:59]1[cH:60][c:61](-[c:64]2[cH:65][cH:66][c:67](-[c:70]3[cH:71][cH:72][n:73][cH:74][cH:75]3)[cH:68][cH:69]2)[cH:62][cH:63]1)=[O:76].[ClH:44].[NH2:33][CH:34]([CH2:35][CH:36]([CH3:37])[CH3:38])[c:39]1[nH:40][cH:41][cH:42][n:43]1.[n:82]1([O:83][C:84]([N:85]([CH3:86])[CH3:87])=[N+:88]([CH3:89])[CH3:90])[c:91]2[cH:92][cH:93][cH:94][cH:95][c:96]2[n:97][n:98]1>>[NH:33]([CH:34]([CH2:35][CH:36]([CH3:37])[CH3:38])[c:39]1[n:40][cH:41][cH:42][nH:43]1)[C:56]([CH:55]([CH2:54][C:53]([O:52][CH2:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)=[O:76])[n:59]1[cH:60][c:61](-[c:64]2[cH:65][cH:66][c:67](-[c:70]3[cH:71][cH:72][n:73][cH:74][cH:75]3)[cH:68][cH:69]2)[cH:62][cH:63]1)=[O:57]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-b033cb54cec041ad8a9c691fdd2ae527
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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