Hydrochloric Acid → 6-Acetyl-3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl) ethyl)-4,5,6,7-tetrahydro-2-methylthieno[2,3-c]pyridine

HRID 1544542

Reaction equation

HRID 1544542 reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][c:6]2[c:7]([c:10]([CH2:14][CH2:15][Br:16])[c:11]([CH3:13])[s:12]2)[CH2:8][CH2:9]1.[C:34](=[O:35])([O-:36])[O-:37].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[ClH:17].[F:18][c:19]1[cH:20][c:21]2[c:22]([c:23]([CH:26]3[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]3)[n:24][o:25]2)[cH:32][cH:33]1.[I-:41].[K+:38].[K+:39].[K+:40].[OH2:54]>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][c:6]2[c:7]([c:10]([CH2:14][CH2:15][N:29]3[CH2:28][CH2:27][CH:26]([c:23]4[c:22]5[c:21]([cH:20][c:19]([F:18])[cH:33][cH:32]5)[o:25][n:24]4)[CH2:31][CH2:30]3)[c:11]([CH3:13])[s:12]2)[CH2:8][CH2:9]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 813Potassium Cation3×HCID 962WaterHCID 1140TolueneHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 30165Iodide IonHCID 8494213-(4-Piperidyl)-6-fluoro-1,2-benzisoxazoleHCID 214719356-Acety-3-(2-bromoethyl)-4,5,6,7-tetrahydro-2-methylthieno[2,3-c]pyridine

Product 1

HCID 214719256-Acetyl-3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl) ethyl)-4,5,6,7-tetrahydro-2-methylthieno[2,3-c]pyridine

Sources & evidence

ORD record
ord-cb9302da408b4a78ae10ea19549cb4af
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Linked notes

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