Sodium ion → 4'-((2-Butyl-4-oxo-1,3-diazaspiro(4.4)non-1-ene-3-yl)methyl)(1,1'-biphenyl)-2-carbonitrile

HRID 675522

Reaction equation

HRID 675522 reaction equation
[Br:25][CH2:26][c:27]1[cH:28][cH:29][c:30](-[c:33]2[c:34]([C:39]#[N:40])[cH:35][cH:36][cH:37][cH:38]2)[cH:31][cH:32]1.[CH2:1]([CH2:2][CH2:3][CH3:4])[C:5]1=[N:6][C:7]2([C:8](=[O:10])[NH:9]1)[CH2:11][CH2:12][CH2:13][CH2:14]2.[CH3:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1.[CH3:22][O-:23].[CH:41]([OH:42])([CH3:43])[CH3:44].[Na+:24].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH2:45]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[C:5]1=[N:6][C:7]2([C:8](=[O:10])[N:9]1[CH2:26][c:27]1[cH:28][cH:29][c:30](-[c:33]3[c:34]([C:39]#[N:40])[cH:35][cH:36][cH:37][cH:38]3)[cH:31][cH:32]1)[CH2:11][CH2:12][CH2:13][CH2:14]2

Participants

9

Reactant 8

HCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 3776IsopropanolHCID 6228DimethylformamideHCID 15019124'-(Bromomethyl)-2-cyanobiphenylHCID 3826051MethoxideHCID 101765112-Butyl-1,3-diazaspiro[4.4]non-1-en-4-one

Product 1

HCID 98431164'-((2-Butyl-4-oxo-1,3-diazaspiro(4.4)non-1-ene-3-yl)methyl)(1,1'-biphenyl)-2-carbonitrile

Sources & evidence

ORD record
ord-6f7b0e222de241a2a4cd31c37459baf8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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