Acetonitrile → Chloride

HRID 169343Notes

Reaction equation

HRID 169343 reaction equation
[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[CH3:45][C:46]#[N:47].[Cl:26][CH2:27][c:28]1[n:29][o:30][c:31](-[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[n:32]1.[c:1]1([CH:7]([C:8](=[O:9])[O:10][CH:11]2[CH2:12][N:13]3[CH2:14][CH2:15][CH:16]2[CH2:17][CH2:18]3)[NH:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[Cl-:26].[c:1]1([CH:7]([C:8](=[O:9])[O:10][CH:11]2[CH2:12][N+:13]3([CH2:27][c:28]4[n:29][o:30][c:31](-[c:33]5[cH:34][cH:35][cH:36][cH:37][cH:38]5)[n:32]4)[CH2:14][CH2:15][CH:16]2[CH2:17][CH2:18]3)[NH:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 4

HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 3021543-(Chloromethyl)-5-phenyl-1,2,4-oxadiazoleHCID 594012151-Azabicyclo[2.2.2]octan-3-yl 2-anilino-2-phenylacetate

Product 2

HCID 312ChlorideHCID 178524674HCID 178524674, compound

Sources & evidence

ORD record
ord-20da61b2edb1423889152c8526993707
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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