Acetonitrile → HCID 22632982, compound

HRID 284203Notes

Reaction equation

HRID 284203 reaction equation
[CH2:1]1[CH2:2][CH2:3][NH:4][CH2:5]1.[CH2:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[O:13][n:14]1[c:15](=[O:31])[n:16]([CH2:27][CH2:28][CH2:29][CH3:30])[c:17]2[c:18]([c:19]1=[O:20])[cH:21][c:22]([F:26])[c:23]([Cl:25])[n:24]2.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:39][C:40]#[N:41]>>[CH2:1]1[CH2:2][CH2:3][N:4]([c:23]2[c:22]([F:26])[cH:21][c:18]3[c:17]([n:16]([CH2:27][CH2:28][CH2:29][CH3:30])[c:15](=[O:31])[n:14]([O:13][CH2:6][c:7]4[cH:8][cH:9][cH:10][cH:11][cH:12]4)[c:19]3=[O:20])[n:24]2)[CH2:5]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 31268PyrrolidineHCID 22632873HCID 22632873, compound

Product 1

HCID 22632982HCID 22632982, compound

Sources & evidence

ORD record
ord-3e3977d71d974b119b75c7aa55e10676
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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