Acetonitrile → Chloride

HRID 2157399Notes

Reaction equation

HRID 2157399 reaction equation
[CH3:40][C:41]#[N:42].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[Cl:1][CH2:2][c:3]1[n:4][o:5][c:6](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[n:7]1.[c:14]1([CH:20]([C:21](=[O:22])[O:23][CH:24]2[CH2:25][N:26]3[CH2:27][CH2:28][CH:29]2[CH2:30][CH2:31]3)[NH:32][c:33]2[c:34]([CH3:39])[cH:35][cH:36][cH:37][cH:38]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[CH2:2]([c:3]1[n:4][o:5][c:6](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[n:7]1)[N+:26]12[CH2:25][CH:24]([O:23][C:21]([CH:20]([c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[NH:32][c:33]3[c:34]([CH3:39])[cH:35][cH:36][cH:37][cH:38]3)=[O:22])[CH:29]([CH2:28][CH2:27]1)[CH2:30][CH2:31]2.[Cl-:1]

Participants

6

Reactant 4

HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 3021543-(Chloromethyl)-5-phenyl-1,2,4-oxadiazoleHCID 67124813HCID 67124813, compound

Product 2

HCID 312ChlorideHCID 178424362HCID 178424362, compound

Sources & evidence

ORD record
ord-c4c4d08d740746eaa919318a54f9235c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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