Dimethylformamide → 1-(2-methylsulfanyl-ethyl)-isoquinoline-3-carboxylic acid [4-(1H-imidazol-2-ylcarbamoyl)-1H-benzoimidazol-2-yl]-amide
Reaction equation
[CH3:1][S:2][CH2:3][CH2:4][c:5]1[n:6][c:7]([C:15](=[O:16])[OH:17])[cH:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]12.[CH:60]([N:61]([CH2:62][CH3:63])[CH:64]([CH3:65])[CH3:66])([CH3:67])[CH3:68].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1.[nH:18]1[c:19]([NH:23][C:24](=[O:25])[c:26]2[cH:27][cH:28][cH:29][c:30]3[n:31][c:32]([NH2:35])[nH:33][c:34]23)[n:20][cH:21][cH:22]1>>[CH3:1][S:2][CH2:3][CH2:4][c:5]1[n:6][c:7]([C:15](=[O:17])[NH:35][c:32]2[nH:31][c:30]3[cH:29][cH:28][cH:27][c:26]([C:24]([NH:23][c:19]4[n:18][cH:22][cH:21][nH:20]4)=[O:25])[c:34]3[n:33]2)[cH:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]12Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-2b4076b8218a4b279c50f2f73a953412
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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