Water → HCID 59625834, compound

HRID 1144186Notes

Reaction equation

HRID 1144186 reaction equation
[CH:23]([N:24]([CH2:25][CH3:26])[CH:27]([CH3:28])[CH3:29])([CH3:30])[CH3:31].[F:1][c:2]1[c:3]([N+:12](=[O:13])[O-:14])[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1.[NH2:15][c:16]1[cH:17][cH:18][c:19]([F:20])[cH:21][cH:22]1.[O:33]=[CH:34][N:35]([CH3:36])[CH3:37].[OH2:32]>>[c:2]1([NH:15][c:16]2[cH:17][cH:18][c:19]([F:20])[cH:21][cH:22]2)[c:3]([N+:12](=[O:13])[O-:14])[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 97314-FluoroanilineHCID 81531DiisopropylethylamineHCID 5219721Methyl 4-fluoro-3-nitrobenzoate

Product 1

HCID 59625834HCID 59625834, compound

Sources & evidence

ORD record
ord-b7b5499c8d484cf6ae42fa9fd09f5e74
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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