Sodium ion → HCID 21082053, compound

HRID 318621Notes

Reaction equation

HRID 318621 reaction equation
[Br:36][CH2:37][c:38]1[cH:39][cH:40][c:41]([C:42]#[N:43])[cH:44][cH:45]1.[Cl:3][c:4]1[cH:5][c:6](-[c:10]2[cH:11][c:12](=[O:35])[nH:13][c:14]3[cH:15][cH:16][c:17]([C:20]([c:21]4[n:22][n:23][cH:24][n:25]4[CH3:26])([OH:27])[c:28]4[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]4)[cH:18][c:19]23)[cH:7][cH:8][cH:9]1.[H-:2].[Na+:1].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:46]>>[Cl:3][c:4]1[cH:5][c:6](-[c:10]2[cH:11][c:12](=[O:35])[n:13]([CH2:37][c:38]3[cH:39][cH:40][c:41]([C:42]#[N:43])[cH:44][cH:45]3)[c:14]3[cH:15][cH:16][c:17]([C:20]([c:21]4[n:22][n:23][cH:24][n:25]4[CH3:26])([OH:27])[c:28]4[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]4)[cH:18][c:19]23)[cH:7][cH:8][cH:9]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 869964-(Bromomethyl)benzonitrileHCID 166653HydrideHCID 21082041HCID 21082041, compound

Product 1

HCID 21082053HCID 21082053, compound

Sources & evidence

ORD record
ord-ee8e9392c37a44c1b3682f3859ee9980
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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