Acetonitrile → di-tert-butyl (6-{[(4-phenyl-1-trityl-1H-imidazol-2-yl)(3-ethoxy-5-ethyl-2-fluorophenyl)methyl]amino}isoquinolin-1-yl)imidodicarbonate
Reaction equation
[CH3:80][C:81]#[N:82].[CH3:86][CH2:87][O:88][C:89]([CH3:90])=[O:91].[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[Cl:1][CH:2]([c:3]1[n:4]([C:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:5][c:6](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[n:7]1)[c:33]1[c:34]([F:44])[c:35]([O:41][CH2:42][CH3:43])[cH:36][c:37]([CH2:39][CH3:40])[cH:38]1.[Cl:83][CH2:84][Cl:85].[NH2:54][c:55]1[cH:56][c:57]2[cH:58][cH:59][n:60][c:61]([N:65]([C:66](=[O:67])[O:68][C:69]([CH3:70])([CH3:71])[CH3:72])[C:73](=[O:74])[O:75][C:76]([CH3:77])([CH3:78])[CH3:79])[c:62]2[cH:63][cH:64]1>>[CH:2]([c:3]1[n:4]([C:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:5][c:6](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[n:7]1)([c:33]1[c:34]([F:44])[c:35]([O:41][CH2:42][CH3:43])[cH:36][c:37]([CH2:39][CH3:40])[cH:38]1)[NH:54][c:55]1[cH:56][c:57]2[cH:58][cH:59][n:60][c:61]([N:65]([C:66](=[O:67])[O:68][C:69]([CH3:70])([CH3:71])[CH3:72])[C:73](=[O:74])[O:75][C:76]([CH3:77])([CH3:78])[CH3:79])[c:62]2[cH:63][cH:64]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-c9534f36fed046089972311ed2d100fe
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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