Ammonium → Methanesulfonic acid 2-oxo-1-[1-oxo-3-(2-trifluoromethylphenyl)-1,2-dihydroisoquinolin-7-yl]-pyrrolidin-3-ylmethyl ester

HRID 201934Notes

Reaction equation

HRID 201934 reaction equation
[CH3:1][S:2]([Cl:3])(=[O:4])=[O:5].[CH3:6][CH2:7][N:8]([CH2:9][CH3:10])[CH2:11][CH3:12].[Cl-:42].[Cl:44][CH2:45][Cl:46].[NH4+:43].[OH:13][CH2:14][CH:15]1[C:16](=[O:41])[N:17]([c:20]2[cH:21][cH:22][c:23]3[cH:24][c:25](-[c:31]4[c:32]([C:37]([F:38])([F:39])[F:40])[cH:33][cH:34][cH:35][cH:36]4)[nH:26][c:27](=[O:30])[c:28]3[cH:29]2)[CH2:18][CH2:19]1>>[CH3:1][S:2](=[O:4])(=[O:5])[O:13][CH2:14][CH:15]1[C:16](=[O:41])[N:17]([c:20]2[cH:21][cH:22][c:23]3[cH:24][c:25](-[c:31]4[c:32]([C:37]([F:38])([F:39])[F:40])[cH:33][cH:34][cH:35][cH:36]4)[nH:26][c:27](=[O:30])[c:28]3[cH:29]2)[CH2:18][CH2:19]1

Participants

7

Reactant 6

HCID 223AmmoniumHCID 312ChlorideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 31297Methanesulfonyl chlorideHCID 118549597-(3-hydroxymethyl-2-oxopyrrolidin-1-yl)-3-(2-trifluoromethylphenyl)-2H-isoquinolin-1-one

Product 1

HCID 86626744Methanesulfonic acid 2-oxo-1-[1-oxo-3-(2-trifluoromethylphenyl)-1,2-dihydroisoquinolin-7-yl]-pyrrolidin-3-ylmethyl ester

Sources & evidence

ORD record
ord-043a861fe2634d548d2a1956bca2ca31
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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