Calcium Cation → 7-(3-hydroxymethyl-2-oxopyrrolidin-1-yl)-3-(2-trifluoromethylphenyl)-2H-isoquinolin-1-one

HRID 92158

Reaction equation

HRID 92158 reaction equation
[BH4-:33].[CH3:38][OH:39].[Ca+2:37].[Cl-:35].[Cl-:36].[Na+:34].[O:1]=[C:2]1[N:3]([c:12]2[cH:13][cH:14][c:15]3[cH:16][c:17](-[c:23]4[c:24]([C:29]([F:30])([F:31])[F:32])[cH:25][cH:26][cH:27][cH:28]4)[nH:18][c:19](=[O:22])[c:20]3[cH:21]2)[CH2:4][CH2:5][CH:6]1[C:7](=[O:8])[O:9][CH2:10][CH3:11]>>[O:1]=[C:2]1[N:3]([c:12]2[cH:13][cH:14][c:15]3[cH:16][c:17](-[c:23]4[c:24]([C:29]([F:30])([F:31])[F:32])[cH:25][cH:26][cH:27][cH:28]4)[nH:18][c:19](=[O:22])[c:20]3[cH:21]2)[CH2:4][CH2:5][CH:6]1[CH2:7][OH:8]

Participants

7

Reactant 6

HCID 271Calcium CationHCID 312Chloride2×HCID 887MethanolHCID 923Sodium ionHCID 28123BorohydrideHCID 11854958Ethyl 2-oxo-1-[1-oxo-3-(2-trifluoromethylphenyl)-1,2-dihydroisoquinolin-7-yl]pyrrolidine-3-carboxylate

Product 1

HCID 118549597-(3-hydroxymethyl-2-oxopyrrolidin-1-yl)-3-(2-trifluoromethylphenyl)-2H-isoquinolin-1-one

Sources & evidence

ORD record
ord-82967779bf7e48f5bccb87aedeb170a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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