Acetonitrile → HCID 178439693, compound

HRID 316167Notes

Reaction equation

HRID 316167 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH2:11][CH2:12][CH:13]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[NH:21][S:22](=[O:23])(=[O:24])[N:25]1[CH2:26][CH2:27][O:28][C:29]1=[O:30].[CH3:59][C:60]#[N:61].[NH2:31][CH:32]1[C:33](=[O:53])[NH:34][CH:35]([CH:50]([CH3:51])[CH3:52])[CH2:36][O:37][CH2:38][CH2:39][CH2:40][CH2:41][O:42][c:43]2[cH:44][cH:45][c:46]([cH:48][cH:49]2)[CH2:47]1.[O:54]1[CH2:55][CH2:56][NH:57][CH2:58]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH2:11][CH2:12][CH:13]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[NH:21][S:22](=[O:23])(=[O:24])[NH:31][CH:32]1[C:33](=[O:53])[NH:34][CH:35]([CH:50]([CH3:51])[CH3:52])[CH2:36][O:37][CH2:38][CH2:39][CH2:40][CH2:41][O:42][c:43]2[cH:44][cH:45][c:46]([cH:48][cH:49]2)[CH2:47]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 5366831,3-OxazolidineHCID 178439688HCID 178439688, compoundHCID 178453428HCID 178453428, compound

Product 1

HCID 178439693HCID 178439693, compound

Sources & evidence

ORD record
ord-beabd6ab23c14bad9d6344d2f77ccb89
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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