Water → HCID 68636966, compound

HRID 2151480Notes

Reaction equation

HRID 2151480 reaction equation
[C-:38]#[N:39].[CH2:40]([N+:41]([CH2:42][CH3:43])([CH2:44][CH3:45])[CH2:46][CH3:47])[CH3:48].[CH3:27][O:28][C:29]([CH3:30])([CH3:31])[CH3:32].[CH3:33][N:34]([CH3:35])[CH:36]=[O:37].[Cl:1][c:2]1[n:3][c:4]2[n:5]([c:6]([N:16]3[CH2:17][CH2:18][CH:19]([CH3:22])[CH2:20][CH2:21]3)[c:7]1-[c:8]1[c:9]([Cl:15])[cH:10][c:11]([F:14])[cH:12][cH:13]1)[n:23][cH:24][n:25]2.[OH2:26]>>[c:2]1([C:33]#[N:34])[n:3][c:4]2[n:5]([c:6]([N:16]3[CH2:17][CH2:18][CH:19]([CH3:22])[CH2:20][CH2:21]3)[c:7]1-[c:8]1[c:9]([Cl:15])[cH:10][c:11]([F:14])[cH:12][cH:13]1)[n:23][cH:24][n:25]2

Participants

7

Reactant 6

HCID 962WaterHCID 5413TetraethylammoniumHCID 5975CyanideHCID 6228DimethylformamideHCID 15413tert-Butyl methyl etherHCID 86608612HCID 86608612, compound

Product 1

HCID 68636966HCID 68636966, compound

Sources & evidence

ORD record
ord-6e4e0d3c585b419299aa981105310b37
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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