Potassium Cation → N-(6-(1-(3-(dimethylamino)propylamino)isoquinolin-5-yl)naphthalen-2-yl)thiophene-2-carboxamide

HRID 2129074Notes

Reaction equation

HRID 2129074 reaction equation
[Br:1][c:2]1[c:3]2[cH:4][cH:5][n:6][c:7]([NH:12][CH2:13][CH2:14][CH2:15][N:16]([CH3:17])[CH3:18])[c:8]2[cH:9][cH:10][cH:11]1.[C:46](=[O:47])([O-:48])[O-:49].[CH2:52]1[O:53][CH2:54][CH2:55][O:56][CH2:57]1.[CH3:19][C:20]1([CH3:21])[C:22]([CH3:23])([CH3:24])[O:25][B:26]([c:27]2[cH:28][c:29]3[cH:30][cH:31][c:32]([NH:37][C:38](=[O:39])[c:40]4[s:41][cH:42][cH:43][cH:44]4)[cH:33][c:34]3[cH:35][cH:36]2)[O:45]1.[Cl:58][CH2:59][Cl:60].[K+:50].[K+:51].[OH2:61]>>[c:2]1(-[c:27]2[cH:28][c:29]3[cH:30][cH:31][c:32]([NH:37][C:38](=[O:39])[c:40]4[s:41][cH:42][cH:43][cH:44]4)[cH:33][c:34]3[cH:35][cH:36]2)[c:3]2[cH:4][cH:5][n:6][c:7]([NH:12][CH2:13][CH2:14][CH2:15][N:16]([CH3:17])[CH3:18])[c:8]2[cH:9][cH:10][cH:11]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 67386798N-(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl)thiophene-2-carboxamideHCID 673868285-bromo-N-(3-(dimethylamino)propyl)isoquinolin-1-amine

Product 1

HCID 58828870N-(6-(1-(3-(dimethylamino)propylamino)isoquinolin-5-yl)naphthalen-2-yl)thiophene-2-carboxamide

Sources & evidence

ORD record
ord-527fceb377694a40a3050a010edbc525
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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