Sodium ion → 4-(2,4-Dichloro-5-methoxyanilino)-7-[4-(triazol-1-ylmethyl)phenyl]quinoline-3-carbonitrile

HRID 692108Notes

Reaction equation

HRID 692108 reaction equation
[Cl:1][CH2:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]3[c:13]([NH:21][c:22]4[c:23]([Cl:31])[cH:24][c:25]([Cl:30])[c:26]([O:28][CH3:29])[cH:27]4)[c:14]([C:19]#[N:20])[cH:15][n:16][c:17]3[cH:18]2)[cH:7][cH:8]1.[I-:40].[Na+:38].[Na+:39].[OH-:37].[nH:32]1[n:33][n:34][cH:35][cH:36]1>>[CH2:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]3[c:13]([NH:21][c:22]4[c:23]([Cl:31])[cH:24][c:25]([Cl:30])[c:26]([O:28][CH3:29])[cH:27]4)[c:14]([C:19]#[N:20])[cH:15][n:16][c:17]3[cH:18]2)[cH:7][cH:8]1)[n:32]1[n:33][n:34][cH:35][cH:36]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 961HydroxideHCID 30165Iodide IonHCID 234381917-[4-(Chloromethyl)phenyl]-4-(2,4-dichloro-5-methoxyanilino)quinoline-3-carbonitrileHCID 178418936HCID 178418936, compound

Product 1

HCID 234380424-(2,4-Dichloro-5-methoxyanilino)-7-[4-(triazol-1-ylmethyl)phenyl]quinoline-3-carbonitrile

Sources & evidence

ORD record
ord-9c11e0c153dc4acd9a6d63abbe07819b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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