Acetonitrile → HCID 67264982, compound

HRID 1564073Notes

Reaction equation

HRID 1564073 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[n:15]([CH2:27][CH2:28][N:29]([CH3:30])[CH2:31][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[cH:16][c:17](-[c:19]3[cH:20][c:21]([F:26])[c:22]([F:25])[cH:23][cH:24]3)[n:18]2)[CH2:12][CH2:13]1.[CH3:49][C:50]#[N:51].[Cl:38][C:39](=[O:40])[O:41][CH2:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[n:15]([CH2:27][CH2:28][N:29]([CH3:30])[C:39](=[O:40])[O:41][CH2:42][c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[cH:16][c:17](-[c:19]3[cH:20][c:21]([F:26])[c:22]([F:25])[cH:23][cH:24]3)[n:18]2)[CH2:12][CH2:13]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 10387Benzyl chloroformateHCID 67264986HCID 67264986, compound

Product 1

HCID 67264982HCID 67264982, compound

Sources & evidence

ORD record
ord-7df3abff9f6447cf899650ad76f36129
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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