Hydrochloric Acid → Methyl 4-[3-[6-(2-fluorophenyl)-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]oxypiperidin-1-yl]butanoate

HRID 2148571Notes

Reaction equation

HRID 2148571 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH2:53]([N+:54]([CH2:55][CH2:56][CH2:57][CH3:58])([CH2:59][CH2:60][CH2:61][CH3:62])[CH2:63][CH2:64][CH2:65][CH3:66])[CH2:67][CH2:68][CH3:69].[CH3:38][O:39][C:40]([CH2:41][CH2:42][CH2:43][Br:44])=[O:45].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[ClH:46].[F:7][c:8]1[c:9](-[c:14]2[c:15](-[c:30]3[cH:31][cH:32][c:33]([O:36][CH3:37])[cH:34][cH:35]3)[c:16]3[c:17]([n:18][cH:19][n:20][c:21]3[O:22][CH:23]3[CH2:24][NH:25][CH2:26][CH2:27][CH2:28]3)[o:29]2)[cH:10][cH:11][cH:12][cH:13]1.[I-:52].[K+:5].[K+:6].[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[OH2:76]>>[F:7][c:8]1[c:9](-[c:14]2[c:15](-[c:30]3[cH:31][cH:32][c:33]([O:36][CH3:37])[cH:34][cH:35]3)[c:16]3[c:17]([n:18][cH:19][n:20][c:21]3[O:22][CH:23]3[CH2:24][N:25]([CH2:43][CH2:42][CH2:41][C:40]([O:39][CH3:38])=[O:45])[CH2:26][CH2:27][CH2:28]3)[o:29]2)[cH:10][cH:11][cH:12][cH:13]1

Participants

12

Reactant 11

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 16028TetrabutylammoniumHCID 19660Carbonate IonHCID 30165Iodide IonHCID 107604Methyl 4-bromobutyrateHCID 178488409HCID 178488409, compound

Product 1

HCID 71177183Methyl 4-[3-[6-(2-fluorophenyl)-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]oxypiperidin-1-yl]butanoate

Sources & evidence

ORD record
ord-9f6ca3d4346749a59fc3a49b878627c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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