Dimethylformamide → isoquinoline-3-carboxylic acid [4-(4,5,6,7-tetrahydro-1H-benzoimidazol-2-ylcarbamoyl)-1H-benzoimidazol-2-yl]-amide

HRID 204818Notes

Reaction equation

HRID 204818 reaction equation
[CH:50]([N:51]([CH2:52][CH3:53])[CH:54]([CH3:55])[CH3:56])([CH3:57])[CH3:58].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[P-:26]([F:27])([F:28])([F:29])([F:30])([F:31])[F:32].[cH:1]1[n:2][c:3]([C:11](=[O:12])[NH:13][c:14]2[nH:15][c:16]3[c:17]([n:18]2)[cH:19][cH:20][cH:21][c:22]3[C:23](=[O:24])[OH:25])[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12.[n:33]1([O:34][C:35]([N:36]([CH3:37])[CH3:38])=[N+:39]([CH3:40])[CH3:41])[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1.[nH:59]1[c:60]([NH2:68])[n:61][c:62]2[c:63]1[CH2:64][CH2:65][CH2:66][CH2:67]2>>[cH:1]1[n:2][c:3]([C:11](=[O:12])[NH:13][c:14]2[n:15][c:16]3[c:17]([nH:18]2)[cH:19][cH:20][cH:21][c:22]3[C:23](=[O:25])[NH:68][c:60]2[nH:59][c:63]3[c:62]([n:61]2)[CH2:67][CH2:66][CH2:65][CH2:64]3)[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 123658514,5,6,7-tetrahydro-1H-benzo[d]imidazol-2-amineHCID 178522491HCID 178522491, compound

Product 1

HCID 58026664isoquinoline-3-carboxylic acid [4-(4,5,6,7-tetrahydro-1H-benzoimidazol-2-ylcarbamoyl)-1H-benzoimidazol-2-yl]-amide

Sources & evidence

ORD record
ord-bf15951190934f02a25cd061294f4f37
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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