Acetonitrile → Chloride

HRID 1234549Notes

Reaction equation

HRID 1234549 reaction equation
[CH3:30][C:31]#[N:32].[Cl:1][CH2:2][c:3]1[n:4][c:5]([CH:8]([CH3:9])[CH3:10])[s:6][cH:7]1.[c:11]1([P:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:12][cH:13][cH:14][cH:15][cH:16]1>>[CH2:2]([c:3]1[n:4][c:5]([CH:8]([CH3:9])[CH3:10])[s:6][cH:7]1)[P+:17]([c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[Cl-:1]

Participants

5

Reactant 3

HCID 6342AcetonitrileHCID 11776TriphenylphosphineHCID 27631934-(Chloromethyl)-2-isopropyl-1,3-thiazole

Product 2

HCID 312ChlorideHCID 10884648Triphenyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]phosphanium

Sources & evidence

ORD record
ord-c9bd035de98048389923b3c16b709559
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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