Potassium Cation → 1-(4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-(5-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)ethane-1,2-dione

HRID 1226437Notes

Reaction equation

HRID 1226437 reaction equation
[Br:1][c:2]1[c:3]2[c:8]([cH:9][cH:10][cH:11]1)[CH2:7][N:6]([C:12]([C:13](=[O:14])[c:15]1[cH:16][nH:17][c:18]3[c:19](-[n:26]4[n:27][c:28]([CH3:31])[n:29][cH:30]4)[n:20][cH:21][c:22]([O:24][CH3:25])[c:23]13)=[O:32])[CH2:5][CH2:4]2.[CH2:48]1[O:49][CH2:50][CH2:51][O:52][CH2:53]1.[K+:42].[K+:43].[O-:44][C:45]([O-:46])=[O:47].[OH2:54].[OH:33][B:34]([OH:35])[c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[c:2]1(-[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:3]2[c:8]([cH:9][cH:10][cH:11]1)[CH2:7][N:6]([C:12]([C:13](=[O:14])[c:15]1[cH:16][nH:17][c:18]3[c:19](-[n:26]4[n:27][c:28]([CH3:31])[n:29][cH:30]4)[n:20][cH:21][c:22]([O:24][CH3:25])[c:23]13)=[O:32])[CH2:5][CH2:4]2

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 66827Phenylboronic AcidHCID 580260681-(5-bromo-3,4-dihydroisoquinolin-2(1H)-yl)-2-(4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione

Product 1

HCID 445400131-(4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-(5-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)ethane-1,2-dione

Sources & evidence

ORD record
ord-5187813c8a2e4b0fbacbc30675946a7d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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