Acetonitrile → HCID 19788687, compound

HRID 155759Notes

Reaction equation

HRID 155759 reaction equation
[CH2:27]1[CH2:28][CH2:29][NH:30][CH2:31]1.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:39][C:40]#[N:41].[F:1][c:2]1[c:3]2[c:8]3[n:7]([cH:15][c:14]([C:16](=[O:17])[OH:18])[c:13](=[O:19])[c:9]3[cH:10][c:11]1[F:12])[N:6]([CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[CH2:5][CH2:4]2>>[c:2]1([N:30]2[CH2:29][CH2:28][CH2:27][CH2:31]2)[c:3]2[c:8]3[n:7]([cH:15][c:14]([C:16](=[O:17])[OH:18])[c:13](=[O:19])[c:9]3[cH:10][c:11]1[F:12])[N:6]([CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[CH2:5][CH2:4]2

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 31268PyrrolidineHCID 21733330HCID 21733330, compound

Product 1

HCID 19788687HCID 19788687, compound

Sources & evidence

ORD record
ord-50333e2626da48f998c051312721d70f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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