Chloride → HCID 22465422, compound

HRID 1220948Notes

Reaction equation

HRID 1220948 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[CH:42]1([NH2:45])[CH2:43][CH2:44]1.[Cl-:1].[Cl:2][c:3]1[cH:4][c:5](-[c:9]2[cH:10][c:11](=[O:35])[n:12]([CH3:34])[c:13]3[cH:14][cH:15][c:16]([C:19]([c:20]4[n:21]([CH3:25])[cH:22][n:23][cH:24]4)([OH:26])[c:27]4[n:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]4)[cH:17][c:18]23)[cH:6][cH:7][cH:8]1.[K+:40].[K+:41].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50]>>[Cl:2][c:3]1[cH:4][c:5](-[c:9]2[cH:10][c:11](=[O:35])[n:12]([CH3:34])[c:13]3[cH:14][cH:15][c:16]([C:19]([c:20]4[n:21]([CH3:25])[cH:22][n:23][cH:24]4)([c:27]4[n:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]4)[NH:45][CH:42]4[CH2:43][CH2:44]4)[cH:17][c:18]23)[cH:6][cH:7][cH:8]1

Participants

7

Reactant 6

HCID 312ChlorideHCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 69828CyclopropylamineHCID 120166774-(3-chloro-phenyl)-6-[(5-chloro-pyridin-2-yl)-hydroxy-(3-methyl-3H-imidazol-4-yl)-methyl]-1-methyl-1H-quinolin-2-one

Product 1

HCID 22465422HCID 22465422, compound

Sources & evidence

ORD record
ord-86e7d7839dac4cb4a303898de0bd678a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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