Acetonitrile → HCID 22955465, compound

HRID 1142517Notes

Reaction equation

HRID 1142517 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]([C:6](=[O:7])[OH:8])[CH:9]([CH:10]([CH:11]([CH2:12][O:13][C:14]([CH3:15])=[O:16])[NH:17][C:18]([CH:19]([NH:20][C:21](=[O:22])[O:23][CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[CH2:31][CH:32]([CH3:33])[CH3:34])=[O:35])[O:36][C:37]([CH3:38])=[O:39])[O:40][C:41]([CH3:42])=[O:43].[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[CH3:66][C:67]#[N:68].[NH2:44][CH:45]([CH2:46][C:47](=[O:48])[O:49][CH2:50][CH3:51])[c:52]1[cH:53][cH:54][c:55]([CH3:58])[cH:56][cH:57]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]([C:6](=[O:7])[NH:44][CH:45]([CH2:46][C:47](=[O:48])[O:49][CH2:50][CH3:51])[c:52]1[cH:53][cH:54][c:55]([CH3:58])[cH:56][cH:57]1)[CH:9]([CH:10]([CH:11]([CH2:12][O:13][C:14]([CH3:15])=[O:16])[NH:17][C:18]([CH:19]([NH:20][C:21](=[O:22])[O:23][CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[CH2:31][CH:32]([CH3:33])[CH3:34])=[O:35])[O:36][C:37]([CH3:38])=[O:39])[O:40][C:41]([CH3:42])=[O:43]

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 577817HCID 577817, compoundHCID 18466008HCID 18466008, compound

Product 1

HCID 22955465HCID 22955465, compound

Sources & evidence

ORD record
ord-d1b54924a9db4e58bc1946acd2563243
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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