Potassium Cation → HCID 44182795, compound

HRID 1543269Notes

Reaction equation

HRID 1543269 reaction equation
[Br:33][c:34]1[cH:35][c:36](-[n:40]2[c:41](=[O:53])[c:42]3[cH:43][cH:44][c:45]([N:50]([CH3:51])[CH3:52])[cH:46][c:47]3[cH:48][cH:49]2)[cH:37][cH:38][cH:39]1.[CH3:1][n:2]1[c:3](=[O:32])[c:4]([NH:17][c:18]2[n:19][cH:20][c:21]([C:24](=[O:25])[N:26]3[CH2:27][CH2:28][O:29][CH2:30][CH2:31]3)[cH:22][cH:23]2)[cH:5][c:6]([B:8]2[O:9][C:10]([CH3:11])([CH3:12])[C:13]([CH3:14])([CH3:15])[O:16]2)[cH:7]1.[K+:59].[K+:60].[K+:61].[P:54]([O-:55])([O-:56])([O-:57])=[O:58]>>[CH3:1][n:2]1[c:3](=[O:32])[c:4]([NH:17][c:18]2[n:19][cH:20][c:21]([C:24](=[O:25])[N:26]3[CH2:27][CH2:28][O:29][CH2:30][CH2:31]3)[cH:22][cH:23]2)[cH:5][c:6](-[c:34]2[cH:35][c:36](-[n:40]3[c:41](=[O:53])[c:42]4[cH:43][cH:44][c:45]([N:50]([CH3:51])[CH3:52])[cH:46][c:47]4[cH:48][cH:49]3)[cH:37][cH:38][cH:39]2)[cH:7]1

Participants

5

Reactant 4

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 592164302-(3-Bromo-phenyl)-6-dimethylamino-2H-isoquinolin-1-oneHCID 592164661-Methyl-3-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyridin-2-one

Product 1

HCID 44182795HCID 44182795, compound

Sources & evidence

ORD record
ord-7f430559fd2240649bbb1f626d13fed4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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