Hydrochloric Acid → HCID 21471809, compound

HRID 1572040Notes

Reaction equation

HRID 1572040 reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[Cl:1][CH2:2][CH2:3][c:4]1[cH:5][c:6]2[c:7]([s:14]1)[C:8](=[O:13])[NH:9][CH2:10][CH2:11][CH2:12]2.[ClH:15].[F:16][c:17]1[cH:18][c:19]2[c:20]([c:21]([CH:24]3[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]3)[n:22][o:23]2)[cH:30][cH:31]1.[I-:39].[K+:36].[K+:37].[K+:38]>>[CH2:2]([CH2:3][c:4]1[cH:5][c:6]2[c:7]([s:14]1)[C:8](=[O:13])[NH:9][CH2:10][CH2:11][CH2:12]2)[N:27]1[CH2:26][CH2:25][CH:24]([c:21]2[c:20]3[c:19]([cH:18][c:17]([F:16])[cH:31][cH:30]3)[o:23][n:22]2)[CH2:29][CH2:28]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 813Potassium Cation3×HCID 1140TolueneHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 30165Iodide IonHCID 8494213-(4-Piperidyl)-6-fluoro-1,2-benzisoxazoleHCID 21471776HCID 21471776, compound

Product 1

HCID 21471809HCID 21471809, compound

Sources & evidence

ORD record
ord-9e3c85bbfdac4330b2fad51942ccce7f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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