O-Xylene → 1-(4-Ethylpiperazin-1-yl)-3-(2-methoxypyridin-5-yl)isoquinoline

HRID 674255Notes

Reaction equation

HRID 674255 reaction equation
[Br:22][c:23]1[n:24][c:25]([N:33]2[CH2:34][CH2:35][N:36]([CH2:39][CH3:40])[CH2:37][CH2:38]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]2[cH:32]1.[CH3:1][O:2][c:3]1[n:4][cH:5][c:6]([Sn:9]([CH2:10][CH2:11][CH2:12][CH3:13])([CH2:14][CH2:15][CH2:16][CH3:17])[CH2:18][CH2:19][CH2:20][CH3:21])[cH:7][cH:8]1.[c:41]1([CH3:42])[c:43]([CH3:44])[cH:45][cH:46][cH:47][cH:48]1>>[CH3:1][O:2][c:3]1[n:4][cH:5][c:6](-[c:23]2[n:24][c:25]([N:33]3[CH2:34][CH2:35][N:36]([CH2:39][CH3:40])[CH2:37][CH2:38]3)[c:26]3[cH:27][cH:28][cH:29][cH:30][c:31]3[cH:32]2)[cH:7][cH:8]1

Participants

4

Reactant 3

HCID 7237O-XyleneHCID 117290212-Methoxy-5-(tributylstannyl)pyridineHCID 225024471-(1-Ethylpiperazin-4-yl)-3-bromoisoquinoline

Product 1

HCID 225036721-(4-Ethylpiperazin-1-yl)-3-(2-methoxypyridin-5-yl)isoquinoline

Sources & evidence

ORD record
ord-917eced920824682b7840afa9de53ea8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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