Hydrochloric Acid → N-[3-ethyl-4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclopentyl]cyclopropanesulfonamide

HRID 179277Notes

Reaction equation

HRID 179277 reaction equation
[CH2:1]([CH3:2])[CH:3]1[CH2:4][CH:5]([NH:30][S:31](=[O:32])(=[O:33])[CH:34]2[CH2:35][CH2:36]2)[CH2:6][CH:7]1[n:8]1[cH:9][n:10][c:11]2[c:12]1[c:13]1[c:14]([n:15][cH:16]2)[n:17]([S:20]([c:21]2[cH:22][cH:23][c:24]([CH3:25])[cH:26][cH:27]2)(=[O:28])=[O:29])[cH:18][cH:19]1.[CH2:40]1[O:41][CH2:42][CH2:43][O:44][CH2:45]1.[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[ClH:39].[Na+:38].[OH-:37].[OH2:52]>>[CH2:1]([CH3:2])[CH:3]1[CH2:4][CH:5]([NH:30][S:31](=[O:32])(=[O:33])[CH:34]2[CH2:35][CH2:36]2)[CH2:6][CH:7]1[n:8]1[cH:9][n:10][c:11]2[c:12]1[c:13]1[c:14]([n:15][cH:16]2)[nH:17][cH:18][cH:19]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 67998812N-(3-ethyl-4-(6-tosylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)cyclopentyl)cyclopropanesulfonamide

Product 1

HCID 75994216N-[3-ethyl-4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclopentyl]cyclopropanesulfonamide

Sources & evidence

ORD record
ord-5b7b8e3ba9cb42989f97d6b8e57985a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…