Water → HCID 18402999, compound

HRID 1140467Notes

Reaction equation

HRID 1140467 reaction equation
[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[Cl:1][c:2]1[cH:3][c:4]([F:32])[c:5](-[n:20]2[c:21](=[O:31])[nH:22][c:23]([C:27]([F:28])([F:29])[F:30])[cH:24][c:25]2=[O:26])[cH:6][c:7]1[O:8][c:9]1[c:10]([C:16]([F:17])([F:18])[F:19])[cH:11][c:12]([NH2:15])[cH:13][cH:14]1.[N:33]([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39].[OH2:40]>>[Cl:1][c:2]1[cH:3][c:4]([F:32])[c:5](-[n:20]2[c:21](=[O:31])[nH:22][c:23]([C:27]([F:28])([F:29])[F:30])[cH:24][c:25]2=[O:26])[cH:6][c:7]1[O:8][c:9]1[c:10]([C:16]([F:17])([F:18])[F:19])[cH:11][cH:12][cH:13][cH:14]1

Participants

5

Reactant 4

HCID 962WaterHCID 6228DimethylformamideHCID 10906Tert-Butyl nitriteHCID 18402937HCID 18402937, compound

Product 1

HCID 18402999HCID 18402999, compound

Sources & evidence

ORD record
ord-9a5def004ad24073ad8f479b5534da6c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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