Acetonitrile → HCID 19979375, compound

HRID 1117204Notes

Reaction equation

HRID 1117204 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6](=[S:7])[NH:8][c:9]1[c:10]([CH:26]([CH3:27])[CH3:28])[n:11][c:12]([O:18][c:19]2[cH:20][cH:21][c:22]([Cl:25])[cH:23][cH:24]2)[cH:13][c:14]1[CH:15]([CH3:16])[CH3:17].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:45][C:46]#[N:47].[Cl:30][c:31]1[cH:32][cH:33][cH:34][cH:35][n+:36]1[CH3:37].[I-:29]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]=[C:6]=[N:8][c:9]1[c:10]([CH:26]([CH3:27])[CH3:28])[n:11][c:12]([O:18][c:19]2[cH:20][cH:21][c:22]([Cl:25])[cH:23][cH:24]2)[cH:13][c:14]1[CH:15]([CH3:16])[CH3:17]

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 30165Iodide IonHCID 1670702-Chloro-1-methylpyridiniumHCID 19979380HCID 19979380, compound

Product 1

HCID 19979375HCID 19979375, compound

Sources & evidence

ORD record
ord-c907c1d638834639b5a8b0d7f348ca3e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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