Sodium ion → 5-(4-Chlorophenyl)-N-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline

HRID 695564Notes

Reaction equation

HRID 695564 reaction equation
[Br:1][c:2]1[c:3]2[c:8]([c:9]([N+:12](=[O:13])[O-:14])[cH:10][cH:11]1)[CH2:7][N:6]([CH3:15])[CH2:5][CH2:4]2.[CH3:32][O:33][CH2:34][CH2:35][O:36][CH3:37].[Cl:16][c:17]1[cH:18][cH:19][c:20]([B:23]([OH:24])[OH:25])[cH:21][cH:22]1.[Na+:26].[Na+:27].[O-:28][C:29](=[O:30])[O-:31].[OH2:38]>>[c:2]1(-[c:20]2[cH:19][cH:18][c:17]([Cl:16])[cH:22][cH:21]2)[c:3]2[c:8]([c:9]([N+:12](=[O:13])[O-:14])[cH:10][cH:11]1)[CH2:7][N:6]([CH3:15])[CH2:5][CH2:4]2

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 742994-Chlorophenylboronic acidHCID 100160105-Bromo-2-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline

Product 1

HCID 234358215-(4-Chlorophenyl)-N-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline

Sources & evidence

ORD record
ord-7118c75632344307888d6f15843da3cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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