Phenol → Phenyl isocyanate

HRID 683452Notes

Reaction equation

HRID 683452 reaction equation
[C:1](=[O:2])([O:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[O:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1.[CH:17](=[O:18])[NH:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[CH:33]([NH:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)=[O:41].[OH:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[c:42]1([OH:43])[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[C:17](=[O:18])=[N:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1

Participants

4

Reactant 3

HCID 996Phenol2×HCID 7597Diphenyl carbonateHCID 7671Formanilide2×

Product 1

HCID 7672Phenyl isocyanate

Sources & evidence

ORD record
ord-f95fb8ae10f84a59a5e101e0189aecc7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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