Acetonitrile → Chloride

HRID 2333212Notes

Reaction equation

HRID 2333212 reaction equation
[CH3:48][C:49]#[N:50].[Cl:1][CH2:2][C:3]1=[C:8]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[CH:7]([c:14]2[cH:15][c:16]([N+:20](=[O:21])[O-:22])[cH:17][cH:18][cH:19]2)[C:6]([C:23](=[O:24])[O:25][CH2:26][CH3:27])=[C:5]([CH3:28])[NH:4]1.[c:29]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[CH2:2]([C:3]1=[C:8]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[CH:7]([c:14]2[cH:15][c:16]([N+:20](=[O:21])[O-:22])[cH:17][cH:18][cH:19]2)[C:6]([C:23](=[O:24])[O:25][CH2:26][CH3:27])=[C:5]([CH3:28])[NH:4]1)[P+:35]([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[Cl-:1]

Participants

5

Reactant 3

HCID 6342AcetonitrileHCID 11776TriphenylphosphineHCID 3064723Diethyl 2-(chloromethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Product 2

HCID 312ChlorideHCID 3065371HCID 3065371, compound

Sources & evidence

ORD record
ord-8ad7fd24690e48c2bc2ded494b8f1d27
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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