4-Fluorophenyl isocyanate → HCID 21101785, compound

HRID 119397Notes

Reaction equation

HRID 119397 reaction equation
[C:1]([CH3:3])([CH3:4])([O:5][C:6](=[O:2])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][c:16](=[O:25])[nH:17][c:18]3[cH:19][c:20]([Cl:24])[cH:21][cH:22][c:23]23)[CH2:12][CH2:13]1)[CH3:7].[F:26][c:27]1[cH:28][cH:29][c:30]([N:33]=[C:34]=[O:35])[cH:31][cH:32]1>>[O:5]=[C:6]([N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][c:16](=[O:25])[nH:17][c:18]3[cH:19][c:20]([Cl:24])[cH:21][cH:22][c:23]23)[CH2:12][CH2:13]1)[NH:33][c:30]1[cH:29][cH:28][c:27]([F:26])[cH:32][cH:31]1

Participants

3

Reactant 2

HCID 709554-Fluorophenyl isocyanateHCID 21101706HCID 21101706, compound

Product 1

HCID 21101785HCID 21101785, compound

Sources & evidence

ORD record
ord-3f2cb62c2b3a45d5a406aaff11e5ac9a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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