Acetonitrile → HCID 178471454, compound

HRID 1572178Notes

Reaction equation

HRID 1572178 reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]1[CH:5]([C:6](=[O:7])[NH:8][CH:9]([CH3:10])[C:11](=[O:12])[N:13]2[CH:14]([C:15](=[O:16])[OH:17])[CH2:18][CH2:19][CH2:20]2)[CH2:21][CH2:22][CH2:23]1.[CH2:39]([CH3:40])[O:41][C:42]([C:43]([O:44][C:45]([N:46]([NH2:47])[CH3:48])=[O:49])([CH3:50])[CH2:51][CH:52]([OH:53])[CH3:54])=[O:55].[CH3:24][N:25]1[CH2:26][CH2:27][O:28][CH2:29][CH2:30]1.[CH3:56][C:57]#[N:58].[Cl:31][C:32]([O:33][CH2:34][CH:35]([CH3:36])[CH3:37])=[O:38]>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH:5]([C:6](=[O:7])[NH:8][CH:9]([CH3:10])[C:11](=[O:12])[N:13]2[CH:14]([C:15](=[O:17])[NH:47][N:46]([C:45]([O:44][C:43]([C:42]([O:41][CH2:39][CH3:40])=[O:55])([CH3:50])[CH2:51][CH:52]([OH:53])[CH3:54])=[O:49])[CH3:48])[CH2:18][CH2:19][CH2:20]2)[CH2:21][CH2:22][CH2:23]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 79724-MethylmorpholineHCID 62365Isobutyl chloroformateHCID 14503263HCID 14503263, compoundHCID 86735295HCID 86735295, compound

Product 1

HCID 178471454HCID 178471454, compound

Sources & evidence

ORD record
ord-764636c1fdd6481180c9b4e365149852
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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