Water → HCID 69652416, compound

HRID 1115789Notes

Reaction equation

HRID 1115789 reaction equation
[C-:40]#[N:41].[CH2:42]([N+:43]([CH2:44][CH3:45])([CH2:46][CH3:47])[CH2:48][CH3:49])[CH3:50].[CH3:29][O:30][C:31]([CH3:32])([CH3:33])[CH3:34].[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[Cl:1][c:2]1[n:3][c:4]2[n:5]([c:6]([N:18]3[CH2:19][CH2:20][CH:21]([CH3:24])[CH2:22][CH2:23]3)[c:7]1-[c:8]1[c:9]([F:17])[cH:10][c:11]([C:15]#[N:16])[cH:12][c:13]1[F:14])[n:25][cH:26][n:27]2.[OH2:28]>>[c:2]1([C:35]#[N:36])[n:3][c:4]2[n:5]([c:6]([N:18]3[CH2:19][CH2:20][CH:21]([CH3:24])[CH2:22][CH2:23]3)[c:7]1-[c:8]1[c:9]([F:17])[cH:10][c:11]([C:15]#[N:16])[cH:12][c:13]1[F:14])[n:25][cH:26][n:27]2

Participants

7

Reactant 6

HCID 962WaterHCID 5413TetraethylammoniumHCID 5975CyanideHCID 6228DimethylformamideHCID 15413tert-Butyl methyl etherHCID 86600105HCID 86600105, compound

Product 1

HCID 69652416HCID 69652416, compound

Sources & evidence

ORD record
ord-cd5534be5581467a90a401fe16f10402
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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