Phenyl isocyanate → HCID 53804008, compound

HRID 1218838Notes

Reaction equation

HRID 1218838 reaction equation
[CH3:31][N:32]([CH3:33])[P:34](=[O:35])([N:36]([CH3:37])[CH3:38])[N:39]([CH3:40])[CH3:41].[NH2:1][c:2]1[s:3][cH:4][c:5]([C:7]([C:8](=[O:9])[OH:10])=[C:11]2[C:12](=[O:21])[N:13]([CH2:17][C:18](=[O:19])[OH:20])[C:14](=[S:16])[S:15]2)[n:6]1.[O:22]=[C:23]=[N:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[NH:1]([c:2]1[s:3][cH:4][c:5]([C:7]([C:8](=[O:9])[OH:10])=[C:11]2[C:12](=[O:21])[N:13]([CH2:17][C:18](=[O:19])[OH:20])[C:14](=[S:16])[S:15]2)[n:6]1)[C:23](=[O:22])[NH:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1

Participants

4

Reactant 3

HCID 7672Phenyl isocyanateHCID 12679HexamethylphosphoramideHCID 53667546HCID 53667546, compound

Product 1

HCID 53804008HCID 53804008, compound

Sources & evidence

ORD record
ord-8870eec811814dcc93c633931c066f33
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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