tert-butyl N-[6-[[1-[4-(1-hydroxypropan-2-yl)phenyl]-2-[(3-nitrophenyl)methylamino]-2-oxoethyl]amino]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate → tert-butyl N-[6-[[2-[(3-aminophenyl)methylamino]-1-[4-(1-hydroxypropan-2-yl)phenyl]-2-oxoethyl]amino]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([c:9]1[n:10][cH:11][cH:12][c:13]2[cH:14][c:15]([NH:19][CH:20]([C:21](=[O:22])[NH:23][CH2:24][c:25]3[cH:26][c:27]([N+:31]([O-:32])=[O:33])[cH:28][cH:29][cH:30]3)[c:34]3[cH:35][cH:36][c:37]([CH:40]([CH2:41][OH:42])[CH3:43])[cH:38][cH:39]3)[cH:16][cH:17][c:18]12)[C:44](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50].[NH2:51][c:52]1[cH:53][c:54]([CH2:58][NH:59][C:60](=[O:61])[CH:62]([NH:63][c:64]2[cH:65][c:66]3[c:67]([cH:68][cH:69]2)[c:70]([N:71]([C:72]([O:73][C:74]([CH3:75])([CH3:76])[CH3:77])=[O:78])[C:79]([O:80][C:81]([CH3:82])([CH3:83])[CH3:84])=[O:85])[n:86][cH:87][cH:88]3)[c:89]2[cH:90][cH:91][c:92]([CH2:93][CH:94]([OH:95])[CH2:96][CH3:97])[cH:98][cH:99]2)[cH:55][cH:56][cH:57]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([c:9]1[n:10][cH:11][cH:12][c:13]2[cH:14][c:15]([NH:19][CH:20]([C:21](=[O:22])[NH:23][CH2:24][c:25]3[cH:26][c:27]([NH2:31])[cH:28][cH:29][cH:30]3)[c:34]3[cH:35][cH:36][c:37]([CH:40]([CH2:41][OH:42])[CH3:43])[cH:38][cH:39]3)[cH:16][cH:17][c:18]12)[C:44](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50]Participants
3
Reactant 2
HCID 57842632tert-butyl N-[6-[[1-[4-(1-hydroxypropan-2-yl)phenyl]-2-[(3-nitrophenyl)methylamino]-2-oxoethyl]amino]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
HCID 57842720N-(3-Amino-benzyl)-2-(1-(bis(tert-butoxycarbonyl)amino)isoquinolin-6-ylamino)-2-[4-(2-hydroxy-butyl)-phenyl]-acetamideProduct 1
Sources & evidence
- ORD record
- ord-37dbd335e2804083acd77e3615b8b409
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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