Sodium ion → 1-(4-Ethylpiperazin-1-yl)-3-[4-(2-benzyloxyethyl)phenyl]isoquinoline

HRID 294414Notes

Reaction equation

HRID 294414 reaction equation
[Br:21][c:22]1[n:23][c:24]([N:32]2[CH2:33][CH2:34][N:35]([CH2:38][CH3:39])[CH2:36][CH2:37]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]2[cH:31]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH2:10][c:11]1[cH:12][cH:13][c:14]([O:17][B:18]([OH:19])[OH:20])[cH:15][cH:16]1.[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH2:10][c:11]1[cH:12][cH:13][c:14](-[c:22]2[n:23][c:24]([N:32]3[CH2:33][CH2:34][N:35]([CH2:38][CH3:39])[CH2:36][CH2:37]3)[c:25]3[cH:26][cH:27][cH:28][cH:29][c:30]3[cH:31]2)[cH:15][cH:16]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 1140TolueneHCID 19660Carbonate IonHCID 225024471-(1-Ethylpiperazin-4-yl)-3-bromoisoquinolineHCID 225024564-(2-Benzyloxyethyl)phenylboric acid

Product 1

HCID 177943201-(4-Ethylpiperazin-1-yl)-3-[4-(2-benzyloxyethyl)phenyl]isoquinoline

Sources & evidence

ORD record
ord-20ced26a84bf46a49bfe54a293701aea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…