Sodium ion → 5-(2,4-Dichloro-phenyl)-2-[4-(4-pyrrolidin-1-ylmethyl-phenyl)-but-1-ynyl]-pyridine

HRID 2124187Notes

Reaction equation

HRID 2124187 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8]#[C:9][CH2:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([CH2:18][N:19]3[CH2:20][CH2:21][CH2:22][CH2:23]3)[cH:16][cH:17]2)[n:6][cH:7]1.[C:42](=[O:43])([O-:44])[O-:45].[CH2:36]1[O:37][CH2:38][CH2:39][O:40][CH2:41]1.[Cl:24][c:25]1[c:26]([O:32][B:33]([OH:34])[OH:35])[cH:27][cH:28][c:29]([Cl:31])[cH:30]1.[Na+:46].[Na+:47]>>[c:2]1(-[c:26]2[c:25]([Cl:24])[cH:30][c:29]([Cl:31])[cH:28][cH:27]2)[cH:3][cH:4][c:5]([C:8]#[C:9][CH2:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([CH2:18][N:19]3[CH2:20][CH2:21][CH2:22][CH2:23]3)[cH:16][cH:17]2)[n:6][cH:7]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 219844772,4-Dichlorophenylboric acidHCID 690713915-Bromo-2-[4-(4-pyrrolidin-1-ylmethyl-phenyl)-but-1-ynyl]-pyridine

Product 1

HCID 117436795-(2,4-Dichloro-phenyl)-2-[4-(4-pyrrolidin-1-ylmethyl-phenyl)-but-1-ynyl]-pyridine

Sources & evidence

ORD record
ord-e502f9ca6ed64259a2acb23d676fe96d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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