Sodium ion → N,N-dicyclopropyl-7-[(4,4-dimethoxy-1-methylsulfanyl-3-oxobut-1-enyl)amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide

HRID 685149Notes

Reaction equation

HRID 685149 reaction equation
[CH3:28][O:29][CH:30]([C:31]([CH:32]=[C:33]([S:34][CH3:35])[S:36][CH3:37])=[O:38])[O:39][CH3:40].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[H-:1].[NH2:3][c:4]1[c:5]2[c:6]([c:7]3[c:8]([n:9]1)[n:10]([CH2:22][CH3:23])[c:11]([C:13](=[O:14])[N:15]([CH:16]1[CH2:17][CH2:18]1)[CH:19]1[CH2:20][CH2:21]1)[cH:12]3)[n:24]([CH3:27])[cH:25][n:26]2.[Na+:2].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[NH:3]([c:4]1[c:5]2[c:6]([c:7]3[c:8]([n:9]1)[n:10]([CH2:22][CH3:23])[c:11]([C:13](=[O:14])[N:15]([CH:16]1[CH2:17][CH2:18]1)[CH:19]1[CH2:20][CH2:21]1)[cH:12]3)[n:24]([CH3:27])[cH:25][n:26]2)[C:33](=[CH:32][C:31]([CH:30]([O:29][CH3:28])[O:39][CH3:40])=[O:38])[S:34][CH3:35]

Participants

7

Reactant 6

HCID 923Sodium ionHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 166653HydrideHCID 111603891,1-Dimethoxy-4,4-bis(methylsulfanyl)but-3-en-2-oneHCID 581805034-amino-N,N-dicyclopropyl-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide

Product 1

HCID 67059623N,N-dicyclopropyl-7-[(4,4-dimethoxy-1-methylsulfanyl-3-oxobut-1-enyl)amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide

Sources & evidence

ORD record
ord-b170eb6e5f2340fc9cfdcbf84816d1ef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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