Potassium Cation → N-[2-[6-(4-Oxo-4H-1,3-benzothiazin-2-yl)-2-pyridyl]ethyl]-N'-phenylurea

HRID 140445Notes

Reaction equation

HRID 140445 reaction equation
[C:28](=[O:29])([O-:30])[O-:31].[CH3:43][C:44]#[N:45].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[K+:32].[K+:33].[NH2:8][CH2:9][CH2:10][c:11]1[cH:12][cH:13][cH:14][c:15](-[c:17]2[s:18][c:19]3[c:20]([c:21](=[O:23])[n:22]2)[cH:24][cH:25][cH:26][cH:27]3)[n:16]1.[O:34]=[C:35]=[N:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[NH:8]([CH2:9][CH2:10][c:11]1[cH:12][cH:13][cH:14][c:15](-[c:17]2[s:18][c:19]3[c:20]([c:21](=[O:23])[n:22]2)[cH:24][cH:25][cH:26][cH:27]3)[n:16]1)[C:35](=[O:34])[NH:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 7672Phenyl isocyanateHCID 19660Carbonate IonHCID 597502232-[6-(2-Aminoethyl)-2-pyridinyl]-1,3-benzothiazin-4-one

Product 1

HCID 59750203N-[2-[6-(4-Oxo-4H-1,3-benzothiazin-2-yl)-2-pyridyl]ethyl]-N'-phenylurea

Sources & evidence

ORD record
ord-538587fc68ff434eac2375349bd018b6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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