Water → HCID 53629540, compound

HRID 1566827Notes

Reaction equation

HRID 1566827 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[CH3:87][CH2:88][O:89][C:90](=[O:91])[CH3:92].[CH:82]([Cl:83])([Cl:84])[Cl:85].[Cs+:40].[Cs+:41].[F:1][CH2:2][CH:3]([CH2:4][F:5])[O:6][c:7]1[cH:8][c:9]([C:10](=[O:11])[NH:12][c:13]2[n:14][n:15]([CH3:18])[cH:16][cH:17]2)[cH:19][c:20]([OH:22])[cH:21]1.[F:75][C:76]([F:77])([F:78])[C:79]([OH:80])=[O:81].[N:23]1([C:27](=[O:28])[c:29]2[n:30][cH:31][c:32]([Br:35])[cH:33][cH:34]2)[CH2:24][CH2:25][CH2:26]1.[N:42]1([C:43]([c:44]2[n:45][cH:46][c:47]([O:48][c:49]3[cH:50][c:51]([C:60]([NH:61][c:62]4[cH:63][cH:64][n:65]([CH3:66])[n:67]4)=[O:68])[cH:52][c:53]([O:54][C:55]([CH2:56][F:57])=[CH2:58])[cH:59]3)[cH:69][cH:70]2)=[O:71])[CH2:72][CH2:73][CH2:74]1.[OH2:86]>>[F:1][CH2:2][CH:3]([CH2:4][F:5])[O:6][c:7]1[cH:8][c:9]([C:10](=[O:11])[NH:12][c:13]2[n:14][n:15]([CH3:18])[cH:16][cH:17]2)[cH:19][c:20]([O:22][c:32]2[cH:31][n:30][c:29]([C:27]([N:23]3[CH2:24][CH2:25][CH2:26]3)=[O:28])[cH:34][cH:33]2)[cH:21]1

Participants

10

Reactant 9

HCID 962WaterHCID 6212ChloroformHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 536296172-(Azetidin-1-ylcarbonyl)-5-bromopyridineHCID 53629640HCID 53629640, compoundHCID 591271643-{[2-fluoro-1-(fluoromethyl)ethyl]oxy}-5-hydroxy-N-(1-methyl-1H-pyrazol-3-yl)benzamide

Product 1

HCID 53629540HCID 53629540, compound

Sources & evidence

ORD record
ord-bdc7e1cfaa6b449da762acee00e3d0fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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