Acetonitrile → HCID 68806562, compound

HRID 694437Notes

Reaction equation

HRID 694437 reaction equation
[CH3:47][C:48]#[N:49].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[F:2][c:3]1[cH:4][c:5]([CH2:6][N:7]([C:8](=[O:9])[c:10]2[c:11]([CH:33]([CH3:34])[CH3:35])[c:12]([CH2:22][CH2:23][CH:24]([CH2:25][CH:26]([CH2:27][C:28](=[O:29])[OH:30])[OH:31])[OH:32])[n:13](-[c:15]3[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]3)[n:14]2)[CH3:36])[cH:37][cH:38][cH:39]1.[F:40][C:41]([F:42])([F:43])[C:44]([OH:45])=[O:46].[Na:1]>>[F:2][c:3]1[cH:4][c:5]([CH2:6][N:7]([C:8](=[O:9])[c:10]2[c:11]([CH:33]([CH3:34])[CH3:35])[c:12]([CH2:22][CH2:23][CH:24]3[CH2:25][CH:26]([OH:31])[CH2:27][C:28](=[O:30])[O:32]3)[n:13](-[c:15]3[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]3)[n:14]2)[CH3:36])[cH:37][cH:38][cH:39]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 5360545SodiumHCID 68800586HCID 68800586, compound

Product 1

HCID 68806562HCID 68806562, compound

Sources & evidence

ORD record
ord-d6d8a636e9804b4899b1901736fb091e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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