Acetonitrile → di-tert-butyl (6-{[(4-bromo-1-trityl-1H-imidazol-2-yl)(5-ethyl-2-fluoro-3-methoxyphenyl)methyl]amino}isoquinolin-1-yl)imidodicarbonate
Reaction equation
[Br:1][c:2]1[n:3][c:4]([CH:26]([c:27]2[c:28]([F:37])[c:29]([O:35][CH3:36])[cH:30][c:31]([CH2:33][CH3:34])[cH:32]2)[Cl:38])[n:5]([C:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:6]1.[CH3:74][C:75]#[N:76].[CH3:80][CH2:81][O:82][C:83]([CH3:84])=[O:85].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Cl:77][CH2:78][Cl:79].[NH2:48][c:49]1[cH:50][c:51]2[cH:52][cH:53][n:54][c:55]([N:59]([C:60](=[O:61])[O:62][C:63]([CH3:64])([CH3:65])[CH3:66])[C:67](=[O:68])[O:69][C:70]([CH3:71])([CH3:72])[CH3:73])[c:56]2[cH:57][cH:58]1>>[Br:1][c:2]1[n:3][c:4]([CH:26]([c:27]2[c:28]([F:37])[c:29]([O:35][CH3:36])[cH:30][c:31]([CH2:33][CH3:34])[cH:32]2)[NH:48][c:49]2[cH:50][c:51]3[cH:52][cH:53][n:54][c:55]([N:59]([C:60](=[O:61])[O:62][C:63]([CH3:64])([CH3:65])[CH3:66])[C:67](=[O:68])[O:69][C:70]([CH3:71])([CH3:72])[CH3:73])[c:56]3[cH:57][cH:58]2)[n:5]([C:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:6]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-17e9af1a47b249e1a2eaaa37ce92bb41
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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