Water → N6-((4-(tert-butyldimethylsilyloxy)-5-ethyl-2-fluorophenyl)(2-methyl-5-phenyl-2H-1,2,4-triazol-3-yl)methyl)-N1,N1-di-(tert-butoxycarbonyl)isoquinoline-1,6-diamine
Reaction equation
[C:10]([CH3:11])([CH3:12])([CH3:13])[Si:14]([O:15][c:16]1[cH:17][c:18]([F:38])[c:19]([CH:24]([OH:25])[c:26]2[n:27]([CH3:37])[n:28][c:29](-[c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[n:30]2)[cH:20][c:21]1[CH2:22][CH3:23])([CH3:39])[CH3:40].[C:48]([CH3:49])([CH3:50])([CH3:51])[O:52][C:53](=[O:54])[N:55]([c:56]1[n:57][cH:58][cH:59][c:60]2[cH:61][c:62]([NH2:66])[cH:63][cH:64][c:65]12)[C:67](=[O:68])[O:69][C:70]([CH3:71])([CH3:72])[CH3:73].[CH3:1][S:2]([O:3][S:4]([CH3:5])(=[O:6])=[O:7])(=[O:8])=[O:9].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[Cl:74][CH2:75][Cl:76].[OH2:77]>>[C:10]([CH3:11])([CH3:12])([CH3:13])[Si:14]([O:15][c:16]1[cH:17][c:18]([F:38])[c:19]([CH:24]([c:26]2[n:27]([CH3:37])[n:28][c:29](-[c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[n:30]2)[NH:66][c:62]2[cH:61][c:60]3[cH:59][cH:58][n:57][c:56]([N:55]([C:53]([O:52][C:48]([CH3:49])([CH3:50])[CH3:51])=[O:54])[C:67](=[O:68])[O:69][C:70]([CH3:71])([CH3:72])[CH3:73])[c:65]3[cH:64][cH:63]2)[cH:20][c:21]1[CH2:22][CH3:23])([CH3:39])[CH3:40]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-4c9657fd45a44ac0b27e85ddcde87be4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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