Dimethylformamide → Rho-Kinase-IN-3

HRID 161247Notes

Reaction equation

HRID 161247 reaction equation
[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[OH:10])[CH:6]([c:11]2[cH:12][c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[cH:19][cH:20]2)[CH2:5][C:4](=[O:21])[NH:3]1.[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[NH:32]=[C:33]=[NH:34].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[nH:22]1[n:23][cH:24][c:25]2[cH:26][c:27]([NH2:31])[cH:28][cH:29][c:30]12>>[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[NH:31][c:27]2[cH:26][c:25]3[cH:24][n:23][nH:22][c:30]3[cH:29][cH:28]2)[CH:6]([c:11]2[cH:12][c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[cH:19][cH:20]2)[CH2:5][C:4](=[O:21])[NH:3]1

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 880121H-Indazol-5-amineHCID 160435CarbodiimideHCID 160998652-Methyl-4-(2-naphthalenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylic acid

Product 1

HCID 11269477Rho-Kinase-IN-3

Sources & evidence

ORD record
ord-6c635097ff7646d883f28ddbfc2ca78c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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