3-(Trifluoromethyl)phenyl isocyanate → HCID 90931098, compound

HRID 311046Notes

Reaction equation

HRID 311046 reaction equation
[F:33][C:34]([c:35]1[cH:36][c:37]([N:41]=[C:42]=[O:43])[cH:38][cH:39][cH:40]1)([F:44])[F:45].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)=[N:20][c:21]2[c:22]([CH:27]=[CH:28][C:29](=[O:30])[O:31][CH3:32])[cH:23][n:24][cH:25][cH:26]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[N:20]([c:21]1[c:22]([CH:27]=[CH:28][C:29](=[O:30])[O:31][CH3:32])[cH:23][n:24][cH:25][cH:26]1)=[C:42]=[N:41][c:37]1[cH:36][c:35]([C:34]([F:33])([F:44])[F:45])[cH:40][cH:39][cH:38]1

Participants

3

Reactant 2

HCID 94833-(Trifluoromethyl)phenyl isocyanateHCID 72236416HCID 72236416, compound

Product 1

HCID 90931098HCID 90931098, compound

Sources & evidence

ORD record
ord-ac9e67bc3a7c4e3ebf26cbfb342d7b3e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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