Toluene → Methyl 2-isocyanatobenzoate

HRID 673174Notes

Reaction equation

HRID 673174 reaction equation
[CH3:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[CH3:5][O:6][C:7]([c:8]1[c:9]([NH2:10])[cH:11][cH:12][cH:13][cH:14]1)=[O:15].[Cl:1][C:2]([Cl:3])=[O:4]>>[C:2](=[O:4])=[N:10][c:9]1[c:8]([C:7]([O:6][CH3:5])=[O:15])[cH:14][cH:13][cH:12][cH:11]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 6371PhosgeneHCID 8635Methyl Anthranilate

Product 1

HCID 519494Methyl 2-isocyanatobenzoate

Sources & evidence

ORD record
ord-987c53e8be804ddf92d4de71ebdb1553
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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