3-(Trifluoromethyl)phenyl isocyanate → HCID 90700988, compound

HRID 1133640Notes

Reaction equation

HRID 1133640 reaction equation
[F:36][C:37]([c:38]1[cH:39][c:40]([N:44]=[C:45]=[O:46])[cH:41][cH:42][cH:43]1)([F:47])[F:48].[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][C:32]([CH3:33])([CH3:34])[CH3:35])[n:23][cH: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][C:32]([CH3:33])([CH3:34])[CH3:35])[n:23][cH:24][cH:25][cH:26]1)=[C:45]=[N:44][c:40]1[cH:39][c:38]([C:37]([F:36])([F:47])[F:48])[cH:43][cH:42][cH:41]1

Participants

3

Reactant 2

HCID 94833-(Trifluoromethyl)phenyl isocyanateHCID 72236421HCID 72236421, compound

Product 1

HCID 90700988HCID 90700988, compound

Sources & evidence

ORD record
ord-b3b35e2cfe9445d3bce4ec17afc8dfd6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…