Acetonitrile → HCID 178465485, compound

HRID 215371Notes

Reaction equation

HRID 215371 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH:12]([CH3:32])[C:13](=[O:31])[N:14]([CH:17]([CH2:18][CH2:19][N:20]2[CH2:21][CH:22]([OH:28])[C:23]3([CH2:24][CH2:25]3)[CH2:26][CH2:27]2)[CH2:29][OH:30])[CH2:15][CH2:16]1.[CH2:33]([CH3:34])[N:35]=[C:36]=[O:37].[CH3:38][C:39]#[N:40]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH:12]([CH3:32])[C:13](=[O:31])[N:14]([CH:17]([CH2:18][CH2:19][N:20]2[CH2:21][CH:22]([OH:28])[C:23]3([CH2:24][CH2:25]3)[CH2:26][CH2:27]2)[CH2:29][O:30][C:36]([NH:35][CH2:33][CH3:34])=[O:37])[CH2:15][CH2:16]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 8022Ethyl isocyanateHCID 178431777HCID 178431777, compound

Product 1

HCID 178465485HCID 178465485, compound

Sources & evidence

ORD record
ord-13ef8dd4e6e14fba8fe30a58df95c01f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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