Sodium ion → 3-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

HRID 2141627Notes

Reaction equation

HRID 2141627 reaction equation
[CH2:1]([CH3:2])[CH:3]1[CH2:4][N:5]([C:30](=[O:31])[NH:32][CH2:33][C:34]([F:35])([F:36])[F:37])[CH2:6][CH:7]1[c:8]1[n:9][n:10][c:11]2[n: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.[Na+:39].[OH-:38]>>[CH2:1]([CH3:2])[CH:3]1[CH2:4][N:5]([C:30](=[O:31])[NH:32][CH2:33][C:34]([F:35])([F:36])[F:37])[CH2:6][CH:7]1[c:8]1[n:9][n:10][c:11]2[n:12]1[c:13]1[c:14]([n:15][cH:16]2)[nH:17][cH:18][cH:19]1

Participants

5

Reactant 4

HCID 923Sodium ionHCID 961HydroxideHCID 312751,4-DioxaneHCID 58557289HCID 58557289, compound

Product 1

HCID 1371265823-ethyl-4-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

Sources & evidence

ORD record
ord-74c7ae6726e94db1a53b7e249dd4adf7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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