Potassium Cation → HCID 44125255, compound

HRID 699933Notes

Reaction equation

HRID 699933 reaction equation
[Br:1][c:2]1[cH:3][c:4]([NH:9][S:10](=[O:11])(=[O:12])[c:13]2[cH:14][cH:15][c:16]([CH:19]([CH3:20])[NH:21][CH3:22])[cH:17][cH:18]2)[c:5]([Cl:8])[n:6][cH:7]1.[C:45](=[O:46])([O-:47])[O-:48].[CH3:23][C:24]1([CH3:25])[C:26]([CH3:27])([CH3:28])[O:29][B:30]([c:31]2[cH:32][cH:33][c:34]3[n:35]([n:36]2)[cH:37][c:38]([NH:40][C:41]([CH3:42])=[O:43])[n:39]3)[O:44]1.[CH3:51][O:52][CH2:53][CH2:54][O:55][CH3:56].[CH3:61][OH:62].[Cl:58][CH2:59][Cl:60].[K+:49].[K+:50].[OH2:57]>>[c:2]1(-[c:31]2[cH:32][cH:33][c:34]3[n:35]([n:36]2)[cH:37][c:38]([NH:40][C:41]([CH3:42])=[O:43])[n:39]3)[cH:3][c:4]([NH:9][S:10](=[O:11])(=[O:12])[c:13]2[cH:14][cH:15][c:16]([CH:19]([CH3:20])[NH:21][CH3:22])[cH:17][cH:18]2)[c:5]([Cl:8])[n:6][cH:7]1

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 887MethanolHCID 962WaterHCID 6344DichloromethaneHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 57749440N-(6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-b]pyridazin-2-yl)acetamideHCID 57749441HCID 57749441, compound

Product 1

HCID 44125255HCID 44125255, compound

Sources & evidence

ORD record
ord-6c835bf1b5e24df781194d8d99f3adc8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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