Acetonitrile → HCID 19848120, compound

HRID 2141723Notes

Reaction equation

HRID 2141723 reaction equation
[CH2:20]([CH2:21][CH2:22][CH3:23])[O:24][C:25](=[O:26])[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][N:32]=[C:33]=[O:34].[CH3:35][C:36]#[N:37].[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[c:7]1[s:8][c:9]([C:14](=[O:15])[O:16][CH:17]([CH3:18])[CH3:19])[c:10]([OH:13])[c:11]1[CH3:12]>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[c:7]1[s:8][c:9]([C:14](=[O:15])[O:16][CH:17]([CH3:18])[CH3:19])[c:10]([O:13][C:33]([NH:32][CH2:31][CH2:30][CH2:29][CH2:28][CH2:27][C:25]([O:24][CH2:20][CH2:21][CH2:22][CH3:23])=[O:26])=[O:34])[c:11]1[CH3:12]

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 13836475Butyl 6-isocyanatohexanoateHCID 54703303HCID 54703303, compound

Product 1

HCID 19848120HCID 19848120, compound

Sources & evidence

ORD record
ord-1eb8a315507c4125a5bf6dec76afbe39
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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