4-Fluorophenol → HCID 21901973, compound

HRID 196740Notes

Reaction equation

HRID 196740 reaction equation
[C:9](=[O:10])([O-:11])[O-:12].[Cl:15][c:16]1[cH:17][cH:18][c:19]([C:22]2([C:26](=[O:27])[N:28]3[CH2:29][CH:30]([CH2:34][O:35][S:36]([CH3:37])(=[O:38])=[O:39])[CH2:31][CH2:32][CH2:33]3)[CH2:23][CH2:24][CH2:25]2)[cH:20][cH:21]1.[Cs+:13].[Cs+:14].[F:1][c:2]1[cH:3][cH:4][c:5]([OH:8])[cH:6][cH:7]1.[O:40]1[c:41]2[cH:42][cH:43][c:44]([O:45][CH2:46][CH:47]3[CH2:48][CH2:49][CH2:50][N:51]([C:52]([C:53]4([c:54]5[cH:55][cH:56][c:57]([Cl:58])[cH:59][cH:60]5)[CH2:61][CH2:62][CH2:63]4)=[O:64])[CH2:65]3)[cH:66][c:67]2[O:68][CH2:69]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:8][CH2:34][CH:30]2[CH2:29][N:28]([C:26]([C:22]3([c:19]4[cH:18][cH:17][c:16]([Cl:15])[cH:21][cH:20]4)[CH2:23][CH2:24][CH2:25]3)=[O:27])[CH2:33][CH2:32][CH2:31]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 97324-FluorophenolHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 12992442Methanesulfonic acid 1-[1-(4-chloro-phenyl)-cyclobutanecarbonyl]-piperidin-3-ylmethyl esterHCID 21902076HCID 21902076, compound

Product 1

HCID 21901973HCID 21901973, compound

Sources & evidence

ORD record
ord-adac8b6eb66c46059acdbdef507c4b94
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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