Water → HCID 178500764, compound

HRID 178959Notes

Reaction equation

HRID 178959 reaction equation
[CH3:40][C:41]#[N:42].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[F:31][c:32]1[c:33]([NH2:34])[cH:35][cH:36][c:37]([F:39])[cH:38]1.[NH2:1][CH:2]=[C:3]([C:4](=[O:5])[O:6][CH3:7])[C:8]([c:9]1[c:10]([F:17])[cH:11][c:12]([F:16])[c:13]([F:15])[cH:14]1)=[O:18].[OH2:19].[c:20]1([CH3:21])[cH:22][cH:23][c:24]([S:25]([OH:26])(=[O:27])=[O:28])[cH:29][cH:30]1>>[NH:1]([CH:2]=[C:3]([C:4](=[O:5])[O:6][CH3:7])[C:8]([c:9]1[c:10]([F:17])[cH:11][c:12]([F:16])[c:13]([F:15])[cH:14]1)=[O:18])[c:33]1[c:32]([F:31])[cH:38][c:37]([F:39])[cH:36][cH:35]1

Participants

7

Reactant 6

HCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 97092,4-DifluoroanilineHCID 178500830HCID 178500830, compound

Product 1

HCID 178500764HCID 178500764, compound

Sources & evidence

ORD record
ord-50889d097ba94ef985f29d3ea617df7e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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