Acetonitrile → Chloride

HRID 2325017Notes

Reaction equation

HRID 2325017 reaction equation
[CH3:36][C:37]#[N:38].[F:1][C:2]([O:3][c:4]1[c:5]([CH3:14])[c:6]([CH3:13])[c:7]([CH2:11][Cl:12])[c:8]([CH3:10])[cH:9]1)([F:15])[F:16].[c:17]1([P:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:18][cH:19][cH:20][cH:21][cH:22]1>>[Cl-:12].[F:1][C:2]([O:3][c:4]1[c:5]([CH3:14])[c:6]([CH3:13])[c:7]([CH2:11][P+:23]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:8]([CH3:10])[cH:9]1)([F:15])[F:16]

Participants

5

Reactant 3

HCID 6342AcetonitrileHCID 11776TriphenylphosphineHCID 13366425HCID 13366425, compound

Product 2

HCID 312ChlorideHCID 20442921HCID 20442921, compound

Sources & evidence

ORD record
ord-f74bcfe900e048a78c63c9e387ce9857
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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