HCID 57842775, compound → 2-(4-(2-(3-(Aminomethyl)phenylcarbamoyloxy)ethyl)-3-methylphenyl)-2-(1-(bis(tert-butoxycarbonyl)amino)isoquinolin-6-ylamino)acetic acid
Reaction equation
[C:57]([CH3:58])([CH3:59])([CH3:60])[O:61][C:62](=[O:63])[N:64]([c:65]1[n:66][cH:67][cH:68][c:69]2[cH:70][c:71]([NH:75][CH:76]([C:77](=[O:78])[OH:79])[c:80]3[cH:81][c:82]([CH3:100])[c:83]([CH2:86][CH2:87][O:88][C:89]([NH:90][c:91]4[cH:92][c:93]([C:97]#[N:98])[cH:94][cH:95][cH:96]4)=[O:99])[cH:84][cH:85]3)[cH:72][cH:73][c:74]12)[C:101](=[O:102])[O:103][C:104]([CH3:105])([CH3:106])[CH3:107].[NH2:1][CH2:2][c:3]1[cH:4][c:5]([NH:6][C:7](=[O:8])[N:9]([CH2:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([CH:16]([NH:17][c:18]3[cH:19][c:20]4[c:21]([cH:22][cH:23]3)[c:24]([N:25]([C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[C:33]([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])[n:40][cH:41][cH:42]4)[C:43]([OH:44])=[O:45])[cH:46][cH:47]2)[CH3:48])[cH:49][cH:50][c:51]1[S:52]([CH2:53][CH3:54])(=[O:55])=[O:56]>>[C:57]([CH3:58])([CH3:59])([CH3:60])[O:61][C:62](=[O:63])[N:64]([c:65]1[n:66][cH:67][cH:68][c:69]2[cH:70][c:71]([NH:75][CH:76]([C:77](=[O:78])[OH:79])[c:80]3[cH:81][c:82]([CH3:100])[c:83]([CH2:86][CH2:87][O:88][C:89]([NH:90][c:91]4[cH:92][c:93]([CH2:97][NH2:98])[cH:94][cH:95][cH:96]4)=[O:99])[cH:84][cH:85]3)[cH:72][cH:73][c:74]12)[C:101](=[O:102])[O:103][C:104]([CH3:105])([CH3:106])[CH3:107]Participants
3
Reactant 2
Product 1
Sources & evidence
- ORD record
- ord-2768bd0a8fd9470fb6c14b3ec7c878f8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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