Acetonitrile → HCID 77706960, compound

HRID 305052Notes

Reaction equation

HRID 305052 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:15](=[O:16])[N:17]2[CH2:18][CH:19]([CH2:23][c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[CH2:20][CH2:21][CH2:22]2)[CH:11]([NH2:14])[CH2:12][CH2:13]1.[C:38]([CH3:39])([CH3:40])([CH3:41])[O:42][C:43](=[O:44])[n:45]1[n:46][cH:47][c:48]2[cH:49][c:50]([NH:54][C:55](=[O:56])[O:57][c:58]3[cH:59][cH:60][cH:61][cH:62][cH:63]3)[cH:51][cH:52][c:53]12.[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:64][C:65]#[N:66].[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:15](=[O:16])[N:17]2[CH2:18][CH:19]([CH2:23][c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[CH2:20][CH2:21][CH2:22]2)[CH:11]([NH:14][C:55]([NH:54][c:50]2[cH:49][c:48]3[cH:47][n:46][n:45]([C:43]([O:42][C:38]([CH3:39])([CH3:40])[CH3:41])=[O:44])[c:53]3[cH:52][cH:51]2)=[O:56])[CH2:12][CH2:13]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 69747061HCID 69747061, compoundHCID 77706926HCID 77706926, compound

Product 1

HCID 77706960HCID 77706960, compound

Sources & evidence

ORD record
ord-979bb4a324654f059d94dbab161a1908
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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