Phenyl isocyanate → HCID 21513119, compound

HRID 317817Notes

Reaction equation

HRID 317817 reaction equation
[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH3:6].[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[O:20]=[C:21]=[N:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[OH:7][c:8]1[cH:9][c:10]([NH:11][C:12]([C:13](=[CH2:14])[CH3:15])=[O:16])[cH:17][cH:18][cH:19]1>>[O:7]([c:8]1[cH:9][c:10]([NH:11][C:12]([C:13](=[CH2:14])[CH3:15])=[O:16])[cH:17][cH:18][cH:19]1)[C:21](=[O:20])[NH:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1

Participants

5

Reactant 4

HCID 7672Phenyl isocyanateHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 21225962HCID 21225962, compound

Product 1

HCID 21513119HCID 21513119, compound

Sources & evidence

ORD record
ord-87ea624c3dab4448a52779a9e9b3430c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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