Ethanol → tert-butyl N-[1-(4-chloro-1-ethoxyisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-N-methylcarbamate

HRID 2327775Notes

Reaction equation

HRID 2327775 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH3:9])[CH:10]1[CH2:11][N:12]([S:15](=[O:16])(=[O:17])[c:18]2[c:19]3[c:20]([Cl:29])[cH:21][n:22][c:23]([Cl:28])[c:24]3[cH:25][cH:26][cH:27]2)[CH2:13][CH2:14]1.[CH3:31][CH2:32][O-:33].[CH3:34][CH2:35][OH:36].[Na+:30]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH3:9])[CH:10]1[CH2:11][N:12]([S:15](=[O:16])(=[O:17])[c:18]2[c:19]3[c:20]([Cl:29])[cH:21][n:22][c:23]([O:33][CH2:32][CH3:31])[c:24]3[cH:25][cH:26][cH:27]2)[CH2:13][CH2:14]1

Participants

5

Reactant 4

HCID 702EthanolHCID 923Sodium ionHCID 1194401-Hydroxyethyl radicalHCID 866278123-[N-(tert-Butoxycarbonyl)-N-methylamino]-1-(1,4-dichloro-5-isoquinolinesulfonyl)pyrrolidine

Product 1

HCID 67242704tert-butyl N-[1-(4-chloro-1-ethoxyisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-N-methylcarbamate

Sources & evidence

ORD record
ord-781b4e40729040309fd0118eb64fb2b1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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