Acetonitrile → HCID 22632895, compound

HRID 1130217Notes

Reaction equation

HRID 1130217 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:35])[n:16](-[c:27]2[cH:28][cH:29][c:30]([O:33][CH3:34])[cH:31][cH:32]2)[c:17]2[c:18]([c:19]1=[O:20])[cH:21][c:22]([F:26])[c:23]([Cl:25])[n:24]2.[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:43][C:44]#[N:45]>>[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](-[c:27]4[cH:28][cH:29][c:30]([O:33][CH3:34])[cH:31][cH:32]4)[c:15](=[O:35])[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 22632933HCID 22632933, compound

Product 1

HCID 22632895HCID 22632895, compound

Sources & evidence

ORD record
ord-22368b6796cc46f98b99454cb1dac508
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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